2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide

• ChemBase编号: 688365
• 分子式: C24H24N2O3
• 平均质量: 388.45896
• 单一同位素质量: 388.17869264
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(Cc1occc1)C)Cc1ccccc1
• Canonical SMILES: CN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)Cc1ccco1
• InChI: InChI=1S/C24H24N2O3/c1-25(17-19-11-8-14-29-19)22(27)16-24(15-18-9-4-3-5-10-18)20-12-6-7-13-21(20)26(2)23(24)28/h3-14H,15-17H2,1-2H3
• InChIKey: CFYJQOJUFISOHY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
• IUPAC传统名: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
• 别名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(2-furylmethyl)-N-methylacetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1629455
• LogD (pH = 7.4): 3.1629457
• Log P: 3.1629457
• 摩尔折射率: 111.3578 cm^3
• 极化性: 42.780643 Å^3
• 极化表面积: 53.76 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.51
• LOG S: -5.03
• 极化表面积: 53.76 Å^2
• 可自由旋转的化学键: 6