dimethyl (3aα,4β,8α,8aβ)-3,3'-[(dihydro-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-4H-1,3-dioxolo[4,5-e][1,3]diazepine-5,7(6H,8H)-diyl)bis(methylene)]bis[benzoate]

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

dimethyl (3aα,4β,8α,8aβ)-3,3'-[(dihydro-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-4H-1,3-dioxolo[4,5-e][1,3]diazepine-5,7(6H,8H)-diyl)bis(methylene)]bis[benzoate]

英文别名

methyl 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[(3-methoxycarbonylphenyl)methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoate

dimethyl (3aα,4β,8α,8aβ)-3,3'-[(dihydro-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-4H-1,3-dioxolo[4,5-e][1,3]diazepine-5,7(6H,8H)-diyl)bis(methylene)]bis[benzoate]化学式

CAS

——

化学式

C₄₀H₄₂N₂O₇

mdl

——

分子量

662.783

InChiKey

NBPYLGJTQOTUAU-NWJWHWDBSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.6
重原子数：

49
可旋转键数：

12
环数：

6.0
sp3杂化的碳原子比例：

0.33
拓扑面积：

94.6
氢给体数：

0
氢受体数：

7

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
——	(4R,5S,6S,7R)-hexahydro-5,6-O-isopropylidene-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one	170028-72-5	C₂₂H₂₆N₂O₃	366.46

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(3aα,4β,8α,8aβ)-3,3'-[(dihydro-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-4H-1,3-dioxolo[4,5-e][1,3]diazepine-5,7(6H,8H)-diyl)bis(methylene)]bis[benzoic acid]	183860-59-5	C₃₈H₃₈N₂O₇	634.729
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-5-[[3-(methylcarbamoyl)phenyl]methyl]-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-methylbenzamide	1053726-82-1	C₄₀H₄₄N₄O₅	660.813
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(ethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-ethylbenzamide	1054662-16-6	C₄₂H₄₈N₄O₅	688.867
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(dimethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N,N-dimethylbenzamide	1055029-50-9	C₄₂H₄₈N₄O₅	688.867
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-6-oxo-5-[[3-(propylcarbamoyl)phenyl]methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-propylbenzamide	1054627-62-1	C₄₄H₅₂N₄O₅	716.921
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(butylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-butylbenzamide	1054798-30-9	C₄₆H₅₆N₄O₅	744.974
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-6-oxo-5-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-propan-2-ylbenzamide	183860-52-8	C₄₄H₅₂N₄O₅	716.921
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(hydrazinecarbonyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzohydrazide	183860-50-6	C₃₈H₄₂N₆O₅	662.789
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[(3-carbonochloridoylphenyl)methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoyl chloride	1054626-65-1	C₃₈H₃₆Cl₂N₂O₅	671.62
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyanomethyl)benzamide	183860-54-0	C₄₂H₄₂N₆O₅	710.833
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(tert-butylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-tert-butylbenzamide	1053263-56-1	C₄₆H₅₆N₄O₅	744.974
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(hydroxycarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-hydroxybenzamide	183860-51-7	C₃₈H₄₀N₄O₇	664.758
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(cyclopropylmethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyclopropylmethyl)benzamide	183860-53-9	C₄₆H₅₂N₄O₅	740.943
——	3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-6-oxo-5-[[3-(pyridin-2-ylcarbamoyl)phenyl]methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-pyridin-2-ylbenzamide	183860-58-4	C₄₈H₄₆N₆O₅	786.93
——	(4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N-methylbenzamide]	152928-55-7	C₃₇H₄₀N₄O₅	620.748
3,3'-{[(4R,5S,6S,7R)-4,7-二苯甲基-5,6-二羟基-2-羰基-1,3-重氮基庚环-1,3-二基]二甲二基}二(N,N-二甲基苯酰胺)	(4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N,N'-dimethylbenzamide]	152928-66-0	C₃₉H₄₄N₄O₅	648.802
——	(4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N-ethylbenzamide]	152928-65-9	C₃₉H₄₄N₄O₅	648.802
——	(4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N-(1-methylethyl)benzamide]	183860-42-6	C₄₁H₄₈N₄O₅	676.856
3,3'-{[(4R,5S,6S,7R)-4,7-二苯甲基-5,6-二羟基-2-羰基-1,3-重氮基庚环-1,3-二基]二甲二基}二(N-丙基苯酰胺)	(4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N-propylbenzamide]	167824-77-3	C₄₁H₄₈N₄O₅	676.856
——	(4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N-butylbenzamide]	183860-43-7	C₄₃H₅₂N₄O₅	704.91