2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetamide

• ChemBase编号: 208817
• 分子式: C19H17N3O3
• 平均质量: 335.35658
• 单一同位素质量: 335.12699142
• SMILES: C1(c2c([nH]c3c2cccc3)C)(C(=O)N(c2c1cccc2)CC(=O)N)O
• Canonical SMILES: NC(=O)CN1c2ccccc2C(C1=O)(O)c1c(C)[nH]c2c1cccc2
• InChI: InChI=1S/C19H17N3O3/c1-11-17(12-6-2-4-8-14(12)21-11)19(25)13-7-3-5-9-15(13)22(18(19)24)10-16(20)23/h2-9,21,25H,10H2,1H3,(H2,20,23)
• InChIKey: ODDLWHYDLOXQLW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetamide
• IUPAC传统名: 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetamide

登记号

• PubChem SID: 164264727
• PubChem CID: 3766110

理论计算性质

• Acid pKa: 11.305733
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 0.85203254
• LogD (pH = 7.4): 0.8519794
• Log P: 0.85203326
• 摩尔折射率: 92.9603 cm^3
• 极化性: 36.529457 Å^3
• 极化表面积: 99.42 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