methyl 4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoate | 1312600-95-5

分子结构分类

有机化合物 - 有机杂环化合物 - 二氢异喹啉

中文名称

——

中文别名

——

英文名称

methyl 4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoate

英文别名

——

methyl 4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoate化学式

CAS

1312600-95-5

化学式

C₂₃H₂₅NO₄S

mdl

——

分子量

411.522

InChiKey

POAOJGMLUVRUNN-RTBURBONSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.1
重原子数：

29
可旋转键数：

6
环数：

4.0
sp3杂化的碳原子比例：

0.39
拓扑面积：

82.4
氢给体数：

0
氢受体数：

6

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	methyl 4-{[(3R,4R)-3-(3-ethoxy-4-methoxyphenyl)tetrahydro-2H-thiopyran-4-yl]carbamoyl}benzoate	1312600-98-8	C₂₃H₂₇NO₅S	429.537

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoic acid	1312600-96-6	C₂₂H₂₃NO₄S	397.495
——	methyl 4-[(2R,4aR,10bR)-9-ethoxy-8-methoxy-2-oxido-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoate	1312600-86-4	C₂₃H₂₅NO₅S	427.521
——	methyl 4-[(2S,4aR,10bR)-9-ethoxy-8-methoxy-2-oxido-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoate	1312600-87-5	C₂₃H₂₅NO₅S	427.521
——	methyl 4-[(4aR,10bR)-9-ethoxy-8-methoxy-2,2-dioxido-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoate	1312600-88-6	C₂₃H₂₅NO₆S	443.521
——	1-benzyl-3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1416250-43-5	C₄₆H₄₄N₄O₅S₂	797.011
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-(3-fluoro-4-methylbenzyl)-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1416250-40-2	C₄₇H₄₅FN₄O₅S₂	829.029
——	3-(1-{4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoyl}piperidin-4-yl)-1-(3-fluoro-4-methoxybenzyl)-6-phenyl-thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1416250-31-1	C₄₇H₄₅FN₄O₆S₂	845.028
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-26-0	C₄₅H₄₆N₆O₅S₂	815.029
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-62-4	C₄₃H₄₃N₇O₅S₂	801.99
——	1-(3,5-difluoro-4-methoxybenzyl)-3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1416250-34-4	C₄₇H₄₄F₂N₄O₆S₂	863.018
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-30-6	C₄₄H₄₃N₅O₅S₃	818.054
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(5-ethylthiophen-2-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-65-7	C₄₆H₄₆N₄O₅S₃	831.093
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-10-2	C₄₅H₄₅N₅O₆S₂	816.014
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-11-3	C₄₃H₄₂N₆O₆S₂	802.975
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(5-methylisoxazol-3-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-15-7	C₄₄H₄₃N₅O₆S₂	801.987
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(3-ethyl-1,2,4-thiadiazol-5-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-32-8	C₄₄H₄₄N₆O₅S₃	833.069
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-{[2-(methoxymethyl)-2H-tetrazol-5-yl]methyl}-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-38-4	C₄₃H₄₄N₈O₆S₂	833.004
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-(2-fluoro-4,5-dimethoxybenzyl)-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1416250-38-8	C₄₈H₄₇FN₄O₇S₂	875.054
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(3-methylthiophen-2-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-66-8	C₄₅H₄₄N₄O₅S₃	817.066
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-50-0	C₄₃H₄₃FN₈O₅S₂	834.995
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(1-ethyl-1H-1,2,3-triazol-4-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-33-9	C₄₄H₄₅N₇O₅S₂	816.017
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(2-ethyl-2H-1,2,3-triazol-4-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-31-7	C₄₄H₄₅N₇O₅S₂	816.017
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(5-ethyl-2H-tetrazol-2-yl)methyl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-67-9	C₄₃H₄₄N₈O₅S₂	817.005
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-({3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-20-4	C₄₄H₄₄N₆O₆S₃	849.068
——	1-(2,3-difluoro-4-methoxybenzyl)-3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-6-phenylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1416250-36-6	C₄₇H₄₄F₂N₄O₆S₂	863.018
——	3-[1-({4-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione	1312599-57-7	C₄₄H₄₃FN₆O₆S₂	834.992