uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08513239B2
查看![1-{1-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperidin-4-yl}-3-(1,1-dioxo-tetrahydro-1lambda6-thiophen-3-yl)-urea 分子结构式](/api/mol/57669900/svg/360x280.svg)
HCID57669900
1-{1-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperidin-4-yl}-3-(1,1-dioxo-tetrahydro-1lambda6-thiophen-3-yl)-urea
1-[1-[(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]-3-(1,1-dioxothiolan-3-yl)urea
C39H48Cl2N6O5S783.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(NC(=O)NC2CCS(=O)(=O)C2)CC1
- InChIKey
- RLUQAAKFJKBYHL-AUMHPUGUSA-N
- 分子式
- C39H48Cl2N6O5S
- 平均分子量
- 783.8 g/mol
- 单同位素质量
- 782.2783952
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 142 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 8
- 重原子
- 53
- 形式电荷
- 0
- 复杂度
- 1,450
ALIASES
名称与别名
SCHEMBL4151414RLUQAAKFJKBYHL-AUMHPUGUSA-N1-{1-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperidin-4-yl}-3-(1,1-dioxo-tetrahydro-1lambda6-thiophen-3-yl)-urea
REACTIONS
参与反应
uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08513239B2
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