4-(4-fluorophenoxy)-1-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)piperidine

• ChemBase编号: 603486
• 分子式: C17H19FN2O3S
• 平均质量: 350.4077632
• 单一同位素质量: 350.1100417
• SMILES: c1(C(=O)N2CCC(CC2)Oc2ccc(F)cc2)c(nc(s1)OC)C
• Canonical SMILES: COc1nc(c(s1)C(=O)N1CCC(CC1)Oc1ccc(cc1)F)C
• InChI: InChI=1S/C17H19FN2O3S/c1-11-15(24-17(19-11)22-2)16(21)20-9-7-14(8-10-20)23-13-5-3-12(18)4-6-13/h3-6,14H,7-10H2,1-2H3
• InChIKey: UZUWISOYSYCGFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-fluorophenoxy)-1-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)piperidine
• IUPAC传统名: 4-(4-fluorophenoxy)-1-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)piperidine
• 别名: 4-(4-fluorophenoxy)-1-[(2-methoxy-4-methyl-1,3-thiazol-5-yl)carbonyl]piperidine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.5153325
• LogD (pH = 7.4): 2.5153325
• Log P: 2.5153325
• 摩尔折射率: 88.6509 cm^3
• 极化性: 33.767685 Å^3
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.2
• LOG S: -3.63
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 4