HRID2053743
uspto-grants-2008_02
作为反应物
uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07326700B2
查看HCID10276088
10-[4-(3-Hydroxy-2-methyl-cyclohex-1-en-1-yl)-3-methyl-benzoyl]-10,11-dihydro-5h-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid
5-[4-(3-hydroxy-2-methylcyclohexen-1-yl)-3-methylbenzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid
C28H28N2O4456.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC1=C(c2ccc(C(=O)N3Cc4ccc(C(=O)O)n4Cc4ccccc43)cc2C)CCCC1O
- InChIKey
- PJTCULDMYQSSDQ-UHFFFAOYSA-N
- 分子式
- C28H28N2O4
- 平均分子量
- 456.5 g/mol
- 单同位素质量
- 456.20490738
COMPUTED
结构计算性质
- XLogP
- 3.3
- 极性表面积
- 82.8 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 825
ALIASES
名称与别名
SCHEMBL5117936PJTCULDMYQSSDQ-UHFFFAOYSA-N10-[4-(3-hydroxy-2-methyl-cyclohex-1-en-1-yl)-3-methyl-benzoyl]-10,11-dihydro-5h-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid
REACTIONS