N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,3-dihydro-1H-indol-1-yl)-N-methyl-2-oxoacetamide

• ChemBase编号: 505911
• 分子式: C18H20N4O3
• 平均质量: 340.3764
• 单一同位素质量: 340.15354052
• SMILES: N1(C(=O)C(=O)N(CCc2nc(on2)C2CC2)C)c2c(CC1)cccc2
• Canonical SMILES: CN(C(=O)C(=O)N1CCc2c1cccc2)CCc1noc(n1)C1CC1
• InChI: InChI=1S/C18H20N4O3/c1-21(10-9-15-19-16(25-20-15)13-6-7-13)17(23)18(24)22-11-8-12-4-2-3-5-14(12)22/h2-5,13H,6-11H2,1H3
• InChIKey: GYNWEQSBXUAUJV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,3-dihydro-1H-indol-1-yl)-N-methyl-2-oxoacetamide
• IUPAC传统名: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-N-methyl-2-oxoacetamide
• 别名: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,3-dihydro-1H-indol-1-yl)-N-methyl-2-oxoacetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.8554624
• LogD (pH = 7.4): 1.8554626
• Log P: 1.8554626
• 摩尔折射率: 92.0357 cm^3
• 极化性: 34.364304 Å^3
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.24
• LOG S: -3.2
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 5