N-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide

• ChemBase编号: 188839
• 分子式: C24H23N3O
• 平均质量: 369.45892
• 单一同位素质量: 369.18411237
• SMILES: c12c(c3c([nH]1)cccc3)cc(nc2c1ccccc1)C(=O)NC1CCCCC1
• Canonical SMILES: O=C(c1nc(c2ccccc2)c2c(c1)c1ccccc1[nH]2)NC1CCCCC1
• InChI: InChI=1S/C24H23N3O/c28-24(25-17-11-5-2-6-12-17)21-15-19-18-13-7-8-14-20(18)26-23(19)22(27-21)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,26H,2,5-6,11-12H2,(H,25,28)
• InChIKey: MILKMLNUWANBAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
• IUPAC传统名: N-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide

登记号

• PubChem SID: 164244749
• PubChem CID: 5772815

理论计算性质

• Acid pKa: 12.375624
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 5.165721
• LogD (pH = 7.4): 5.165722
• Log P: 5.165726
• 摩尔折射率: 110.6968 cm^3
• 极化性: 46.452976 Å^3
• 极化表面积: 57.78 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds