11-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-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: 227097
• 分子式: C23H24N2O6S
• 平均质量: 456.51146
• 单一同位素质量: 456.1355075
• SMILES: S(=O)(=O)(N1c2c(cc(C(=O)C3=Cc4c(c5c(cc4CCN3C)OCO5)OC)cc2)CC1)C
• Canonical SMILES: COc1c2C=C(N(CCc2cc2c1OCO2)C)C(=O)c1ccc2c(c1)CCN2S(=O)(=O)C
• InChI: InChI=1S/C23H24N2O6S/c1-24-8-6-14-11-20-23(31-13-30-20)22(29-2)17(14)12-19(24)21(26)16-4-5-18-15(10-16)7-9-25(18)32(3,27)28/h4-5,10-12H,6-9,13H2,1-3H3
• InChIKey: URBTWOKDYJBRDW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 11-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-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: 11-(1-methanesulfonyl-2,3-dihydroindole-5-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: 164283007
• PubChem CID: 71754234

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 1.6871852
• LogD (pH = 7.4): 1.6922051
• Log P: 1.6922696
• 摩尔折射率: 121.0004 cm^3
• 极化性: 46.313156 Å^3
• 极化表面积: 85.38 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