7-methyl-2-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 635356
• 分子式: C16H20N4O2S
• 平均质量: 332.4206
• 单一同位素质量: 332.1306969
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1c(C)nc2n1ccs2
• InChI: InChI=1S/C16H20N4O2S/c1-11-12(20-8-9-23-15(20)17-11)13(21)19-7-5-16(10-19)4-3-6-18(2)14(16)22/h8-9H,3-7,10H2,1-2H3
• InChIKey: YJSPKEXPIUBMHC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methyl-2-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-methyl-2-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)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): 0.0936959
• LogD (pH = 7.4): 0.09451307
• Log P: 0.094523504
• 摩尔折射率: 99.4661 cm^3
• 极化性: 32.98208 Å^3
• 极化表面积: 57.92 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: 1.72
• LOG S: -3.09
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 1