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

• ChemBase编号: 689554
• 分子式: C19H24N4O2S
• 平均质量: 372.48446
• 单一同位素质量: 372.16199703
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1c(C)nc2n1ccs2)CC1CC1
• InChI: InChI=1S/C19H24N4O2S/c1-13-15(23-9-10-26-18(23)20-13)16(24)22-8-6-19(12-22)5-2-7-21(17(19)25)11-14-3-4-14/h9-10,14H,2-8,11-12H2,1H3
• InChIKey: WPKCYUKJIUQKCB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclopropylmethyl)-2-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-(cyclopropylmethyl)-2-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-(cyclopropylmethyl)-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): 0.8742711
• LogD (pH = 7.4): 0.8750903
• Log P: 0.8751008
• 摩尔折射率: 111.4081 cm^3
• 极化性: 37.759037 Å^3
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.61
• LOG S: -4.14
• 极化表面积: 57.92 Å^2
• 可自由旋转的化学键: 3