N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase编号: 692831
• 分子式: C19H24N4O2
• 平均质量: 340.41946
• 单一同位素质量: 340.18992603
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCCc1nc(no1)CC
• Canonical SMILES: CCc1noc(n1)CCNC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C
• InChI: InChI=1S/C19H24N4O2/c1-5-16-22-18(25-23-16)6-7-20-17(24)10-14-13(4)21-19-12(3)8-11(2)9-15(14)19/h8-9,21H,5-7,10H2,1-4H3,(H,20,24)
• InChIKey: QEKHGWUBOVPJFH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC传统名: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• 别名: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 15.40368
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.4026983
• LogD (pH = 7.4): 3.4026983
• Log P: 3.4026983
• 摩尔折射率: 98.9095 cm^3
• 极化性: 37.6935 Å^3
• 极化表面积: 83.81 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: 4
• 质子供体: 2
• Log P: 2.24
• LOG S: -3.6
• 极化表面积: 83.81 Å^2
• 可自由旋转的化学键: 6