uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06319920B1
查看![(S)-N-{3-[4-({[2-(2,3-dihydrobenzofuran-5-yl)-1-methylethyl]ethylamino}methyl)piperidin-1-yl]-3-oxopropyl}methanesulfonamide 分子结构式](/api/mol/54217577/svg/360x280.svg)
HCID54217577
(S)-N-{3-[4-({[2-(2,3-dihydrobenzofuran-5-yl)-1-methylethyl]ethylamino}methyl)piperidin-1-yl]-3-oxopropyl}methanesulfonamide
N-[3-[4-[[[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-ethylamino]methyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
C23H37N3O4S451.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCN(CC1CCN(C(=O)CCNS(C)(=O)=O)CC1)[C@@H](C)Cc1ccc2c(c1)CCO2
- InChIKey
- QAHJUTBPGXSPCC-SFHVURJKSA-N
- 分子式
- C23H37N3O4S
- 平均分子量
- 451.6 g/mol
- 单同位素质量
- 451.25047784
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 87.3 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 10
- 重原子
- 31
- 形式电荷
- 0
- 复杂度
- 673
ALIASES
名称与别名
SCHEMBL4679079QAHJUTBPGXSPCC-SFHVURJKSA-N(S)-N-{3-[4-({[2-(2,3-dihydrobenzofuran-5-yl)-1-methylethyl]ethylamino}methyl)piperidin-1-yl]-3-oxopropyl}methanesulfonamide
REACTIONS
参与反应