7-(2-cyclohexylethyl)-2-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase编号: 495182
• 分子式: C23H35N3O
• 平均质量: 369.5435
• 单一同位素质量: 369.27801276
• SMILES: N1(C(=O)c2cnc(cc2)C)CC2(CN(CCC3CCCCC3)CCC2)CC1
• Canonical SMILES: Cc1ccc(cn1)C(=O)N1CCC2(C1)CCCN(C2)CCC1CCCCC1
• InChI: InChI=1S/C23H35N3O/c1-19-8-9-21(16-24-19)22(27)26-15-12-23(18-26)11-5-13-25(17-23)14-10-20-6-3-2-4-7-20/h8-9,16,20H,2-7,10-15,17-18H2,1H3
• InChIKey: CLSCXKZHJVLWNH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(2-cyclohexylethyl)-2-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC传统名: 7-(2-cyclohexylethyl)-2-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decane
• 别名: 7-(2-cyclohexylethyl)-2-[(6-methyl-3-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decane

理论计算性质

Provided by Chembridge

• Log P: 4.18
• LOG S: -5.11
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 3
• 质子供体: 0

JChem

• 摩尔折射率: 110.569 cm^3
• 极化性: 42.839607 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.24152684
• LogD (pH = 7.4): 0.89692616
• Log P: 3.2136164