uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829006B2
查看![3-[6'-chloro-4'-(5-fluoro-2,3-dihydro-indole-1-carbonyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl]-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one 分子结构式](/api/mol/42613144/svg/360x280.svg)
HCID42613144
3-[6'-chloro-4'-(5-fluoro-2,3-dihydro-indole-1-carbonyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl]-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one
3-[1-[6-chloro-4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-2-one
C29H29ClFN5O3550 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)N4CCc5cc(F)ccc54)cc(Cl)n3)CC1)C(=O)N2
- InChIKey
- ZOGZLQXSPRNEET-UHFFFAOYSA-N
- 分子式
- C29H29ClFN5O3
- 平均分子量
- 550 g/mol
- 单同位素质量
- 549.1942957
COMPUTED
结构计算性质
- XLogP
- 4.9
- 极性表面积
- 78 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 891
ALIASES
名称与别名
SCHEMBL2258451ZOGZLQXSPRNEET-UHFFFAOYSA-N3-[6'-chloro-4'-(5-fluoro-2,3-dihydro-indole-1-carbonyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl]-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one
REACTIONS
参与反应