tert-butyl N-[(3R,4S,7R)-3-fluoro-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl]carbamate | 1586044-66-7

分子结构分类

有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物

中文名称

——

中文别名

——

英文名称

tert-butyl N-[(3R,4S,7R)-3-fluoro-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl]carbamate

英文别名

tert-butyl N-[(3R,4S,7R)-3-fluoro-7-(2-methyl-4-nitropyrazol-3-yl)oxepan-4-yl]carbamate

CAS

1586044-66-7

化学式

C₁₅H₂₃FN₄O₅

mdl

——

分子量

358.37

InChiKey

BMHSXWRRGGOCRL-JBLDHEPKSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1.5
重原子数：

25
可旋转键数：

4
环数：

2.0
sp3杂化的碳原子比例：

0.73
拓扑面积：

111
氢给体数：

1
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
——	1-methyl-4-nitro-5-(2,3,4,7-tetrahydrooxepin-2-yl)pyrazole	1586042-64-9	C₁₀H₁₃N₃O₃	223.232

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	tert-butyl ((3S,4R,7S)-7-(4-(2-bromothiazole-4-carboxamido)-1-methyl-1H-pyrazol-5-yl)-3-fluorooxepan-4-yl)carbamate	1586045-04-6	C₁₉H₂₅BrFN₅O₄S	518.407
——	tert-butyl ((3S,4R,7S)-7-(4-(6-bromo-5-fluoropicolinamido)-1-methyl-1H-pyrazol-5-yl)-3-fluorooxepan-4-yl)carbamate	1586045-12-6	C₂₁H₂₆BrF₂N₅O₄	530.369
——	tert-butyl N-[2-bromo-4-[[5-[(2S,5R,6S)-5-(tert-butoxycarbonylamino)-6-fluoro-oxepan-2-yl]-1-methyl-pyrazol-4-yl]carbamoyl]thiazol-5-yl]carbamate	1586044-98-5	C₂₄H₃₄BrFN₆O₆S	633.539
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-phenylthiazole-4-carboxamide	1586041-57-7	C₂₀H₂₃FN₆O₂S	430.506
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-(difluoromethyl)phenyl)thiazole-4-carboxamide	1586041-36-2	C₂₁H₂₂F₃N₅O₂S	465.499
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluorophenyl)thiazole-4-carboxamide	1586041-59-9	C₂₀H₂₁F₂N₅O₂S	433.482
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(3-methylpyridin-2-yl)thiazole-4-carboxamide	1586040-67-6	C₂₀H₂₃FN₆O₂S	430.506
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methylphenyl)thiazole-4-carboxamide	1586041-53-3	C₂₁H₂₃F₂N₅O₂S	447.509
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide	1586041-58-8	C₂₀H₂₀F₃N₅O₂S	451.472
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluoro-5-methylphenyl)thiazole-4-carboxamide	1586040-74-5	C₂₁H₂₃F₂N₅O₂S	447.509
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluoro-4-methylphenyl)thiazole-4-carboxamide	1586041-49-7	C₂₁H₂₂F₃N₅O₂S	465.499
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(4-chloro-2-fluorophenyl)thiazole-4-carboxamide	1586041-50-0	C₂₀H₂₀ClF₂N₅O₂S	467.927
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)thiazole-4-carboxamide	1586041-39-5	C₂₀H₂₀ClF₂N₅O₂S	467.927
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)thiazole-4-carboxamide	1586041-37-3	C₂₀H₂₀BrF₂N₅O₂S	512.378
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(1,5-dimethyl-1H-pyrazol-4-yl)thiazole-4-carboxamide	1586040-78-9	C₁₉H₂₄FN₇O₂S	433.51
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(3-fluoropyridin-4-yl)thiazole-4-carboxamide	1586040-76-7	C₁₉H₂₀F₂N₆O₂S	434.47
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,4-difluorophenyl)thiazole-4-carboxamide	1586041-62-4	C₂₀H₂₀F₃N₅O₂S	451.472
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,5-difluorophenyl)thiazole-4-carboxamide	1586041-38-4	C₂₀H₂₀F₃N₅O₂S	451.472
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-(difluoromethyl)phenyl)thiazole-4-carboxamide	1586041-72-6	C₂₁H₂₃F₃N₆O₂S	480.514
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,3-difluorophenyl)thiazole-4-carboxamide	1586041-43-1	C₂₀H₂₀F₃N₅O₂S	451.472
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-(trifluoromethyl)phenyl)thiazole-4-carboxamide	1586041-60-2	C₂₁H₂₂F₄N₆O₂S	498.504
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide	1586040-32-5	C₂₂H₂₁F₄N₅O₂	463.435
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluoro-4-methoxyphenyl)thiazole-4-carboxamide	1586041-31-7	C₂₁H₂₃F₂N₅O₃S	463.508
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluoro-3-methylphenyl)thiazole-4-carboxamide	1586041-40-8	C₂₁H₂₂F₃N₅O₂S	465.499
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluoro-6-methylphenyl)thiazole-4-carboxamide	1586041-52-2	C₂₁H₂₃F₂N₅O₂S	447.509
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluoro-4-methoxyphenyl)thiazole-4-carboxamide	1586041-34-0	C₂₁H₂₂F₃N₅O₃S	481.499
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)thiazole-4-carboxamide	1586040-77-8	C₁₉H₂₄FN₇O₂S	433.51
——	5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluorophenyl)thiazole-4-carboxamide	1586041-54-4	C₂₀H₂₂F₂N₆O₂S	448.496
——	N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,3,6-trifluorophenyl)thiazole-4-carboxamide	1586040-79-0	C₂₀H₁₉F₄N₅O₂S	469.463