10-(1,2-dimethyl-1H-indole-3-carbonyl)-8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),8,10-tetraene

• ChemBase编号: 224139
• 分子式: C24H24N2O4
• 平均质量: 404.45836
• 单一同位素质量: 404.17360726
• SMILES: c1(c(n(c2c1cccc2)C)C)C(=O)C1=CN(CCc2c1c(c1c(c2)OCO1)OC)C
• Canonical SMILES: COc1c2c(CCN(C=C2C(=O)c2c(C)n(c3c2cccc3)C)C)cc2c1OCO2
• InChI: InChI=1S/C24H24N2O4/c1-14-20(16-7-5-6-8-18(16)26(14)3)22(27)17-12-25(2)10-9-15-11-19-23(30-13-29-19)24(28-4)21(15)17/h5-8,11-12H,9-10,13H2,1-4H3
• InChIKey: QNNSBNLPXYSVFV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-(1,2-dimethyl-1H-indole-3-carbonyl)-8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene
• IUPAC传统名: 10-(1,2-dimethylindole-3-carbonyl)-8-methoxy-12-methyl-4,6-dioxa-12-azatricyclo[7.5.0.0^3,^7]tetradeca-1,3(7),8,10-tetraene

登记号

• PubChem SID: 164280049
• PubChem CID: 51052126

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.310089
• LogD (pH = 7.4): 3.5662842
• Log P: 3.570759
• 摩尔折射率: 115.9377 cm^3
• 极化性: 44.893715 Å^3
• 极化表面积: 52.93 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds