uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08017610B2
查看![N-[(1R)-1-(Hydroxymethyl)propyl]-5-(3-[(1S)-2-methoxy-1-methylethoxy]-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}phenyl)-1H-pyrrole-2-carboxamide 分子结构式](/api/mol/66683511/svg/360x280.svg)
HCID66683511
N-[(1R)-1-(Hydroxymethyl)propyl]-5-(3-[(1S)-2-methoxy-1-methylethoxy]-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}phenyl)-1H-pyrrole-2-carboxamide
N-[(2R)-1-hydroxybutan-2-yl]-5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]-1H-pyrrole-2-carboxamide
C25H31N3O7S517.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC[C@H](CO)NC(=O)c1ccc(-c2cc(Oc3ccc(S(C)(=O)=O)nc3)cc(O[C@@H](C)COC)c2)[nH]1
- InChIKey
- PCRGYSZBIRBWAQ-FUHWJXTLSA-N
- 分子式
- C25H31N3O7S
- 平均分子量
- 517.6 g/mol
- 单同位素质量
- 517.18827151
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 148 Ų
- 氢键供体
- 3
- 氢键受体
- 8
- 可旋转键
- 12
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 793
ALIASES
名称与别名
SCHEMBL428723PCRGYSZBIRBWAQ-FUHWJXTLSA-NN-[(1R)-1-(Hydroxymethyl)propyl]-5-(3-[(1S)-2-methoxy-1-methylethoxy]-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}phenyl)-1H-pyrrole-2-carboxamide
REACTIONS
