7-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase编号: 848162
• 分子式: C16H17ClN4O3
• 平均质量: 348.78418
• 单一同位素质量: 348.0989181
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1CC2(OC(=O)N(C2)C)CCC1
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)N1CCCC2(C1)OC(=O)N(C2)C
• InChI: InChI=1S/C16H17ClN4O3/c1-19-9-16(24-15(19)23)5-2-6-20(10-16)14(22)12-8-21-7-11(17)3-4-13(21)18-12/h3-4,7-8H,2,5-6,9-10H2,1H3
• InChIKey: QQWCXVODRDDLDR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC传统名: 7-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• 别名: 7-[(6-chloroimidazo[1,2-a]pyridin-2-yl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.1258572
• LogD (pH = 7.4): 1.1300218
• Log P: 1.1300751
• 摩尔折射率: 88.2867 cm^3
• 极化性: 33.304905 Å^3
• 极化表面积: 67.15 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: 4
• 质子供体: 0
• Log P: 0.7
• LOG S: -2.34
• 极化表面积: 67.15 Å^2
• 可自由旋转的化学键: 1