7-methyl-2-(1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 755839
• 分子式: C18H25N3O3
• 平均质量: 331.4094
• 单一同位素质量: 331.18959168
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1c(C)cc(n(c1=O)C)C
• InChI: InChI=1S/C18H25N3O3/c1-12-10-13(2)20(4)15(22)14(12)16(23)21-9-7-18(11-21)6-5-8-19(3)17(18)24/h10H,5-9,11H2,1-4H3
• InChIKey: LAADKBYWQKFDOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methyl-2-(1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-methyl-2-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-methyl-2-[(1,4,6-trimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.13446747
• LogD (pH = 7.4): -0.13446641
• Log P: -0.13446641
• 摩尔折射率: 93.3459 cm^3
• 极化性: 34.863247 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.12
• LOG S: -3.03
• 极化表面积: 62.62 Å^2
• 可自由旋转的化学键: 1