6-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(propan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase编号: 665507
• 分子式: C19H22FN3O3S
• 平均质量: 391.4596832
• 单一同位素质量: 391.1365908
• SMILES: c1(n2c(nc(c2)c2cc(c(cc2)OC)F)sc1)C(=O)N(C(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1csc2n1cc(n2)c1ccc(c(c1)F)OC)C(C)C
• InChI: InChI=1S/C19H22FN3O3S/c1-12(2)22(7-8-25-3)18(24)16-11-27-19-21-15(10-23(16)19)13-5-6-17(26-4)14(20)9-13/h5-6,9-12H,7-8H2,1-4H3
• InChIKey: HDRZSXKSGHXNAL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(propan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC传统名: 6-(3-fluoro-4-methoxyphenyl)-N-isopropyl-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• 别名: 6-(3-fluoro-4-methoxyphenyl)-N-isopropyl-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.7541783
• LogD (pH = 7.4): 2.7557383
• Log P: 2.755758
• 摩尔折射率: 113.9164 cm^3
• 极化性: 39.718853 Å^3
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.96
• LOG S: -4.11
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 4