uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07612084B2
查看![N-(5-{(1R)-2-[(7-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenoxy}heptyl)amino]-1-hydroxyethyl}-2-hydroxyphenyl)methanesulfonamide 分子结构式](/api/mol/57933206/svg/360x280.svg)
HCID57933206
N-(5-{(1R)-2-[(7-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenoxy}heptyl)amino]-1-hydroxyethyl}-2-hydroxyphenyl)methanesulfonamide
N-[5-[(1R)-2-[7-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenoxy]heptylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
C37H55N3O6S669.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)N(CC[C@H](c1ccccc1)c1cc(OCCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C
- InChIKey
- JRCDPBOFTKDVNX-JJQXXVEZSA-N
- 分子式
- C37H55N3O6S
- 平均分子量
- 669.9 g/mol
- 单同位素质量
- 669.38115766
COMPUTED
结构计算性质
- XLogP
- 6.2
- 极性表面积
- 140 Ų
- 氢键供体
- 5
- 氢键受体
- 9
- 可旋转键
- 21
- 重原子
- 47
- 形式电荷
- 0
- 复杂度
- 933
ALIASES
名称与别名
SCHEMBL4141543JRCDPBOFTKDVNX-JJQXXVEZSA-NN-(5-{(1R)-2-[(7-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenoxy}heptyl)amino]-1-hydroxyethyl}-2-hydroxyphenyl)methanesulfonamide
REACTIONS
参与反应