N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(4-phenylphenyl)acetamide

• ChemBase编号: 748865
• 分子式: C24H25N3O
• 平均质量: 371.4748
• 单一同位素质量: 371.19976244
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)Cc1ccc(c2ccccc2)cc1
• Canonical SMILES: O=C(Cc1ccc(cc1)c1ccccc1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C24H25N3O/c1-17-23(22-11-12-25-14-21(22)15-26-17)16-27-24(28)13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,15,25H,11-14,16H2,1H3,(H,27,28)
• InChIKey: SGOUDYLOBQWHBK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(4-phenylphenyl)acetamide
• IUPAC传统名: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(4-phenylphenyl)acetamide
• 别名: 2-(4-biphenylyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

理论计算性质

JChem

• Acid pKa: 15.566626
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.1174893
• LogD (pH = 7.4): 1.4147481
• Log P: 2.9113612
• 摩尔折射率: 112.8255 cm^3
• 极化性: 44.7814 Å^3
• 极化表面积: 54.02 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: 3
• 质子供体: 2
• Log P: 2.27
• LOG S: -2.55
• 极化表面积: 54.02 Å^2
• 可自由旋转的化学键: 5