N-cyclopentyl-2-(1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase编号: 668984
• 分子式: C15H18N2OS2
• 平均质量: 306.44622
• 单一同位素质量: 306.08605521
• SMILES: C(=O)(N(Cc1cscc1)C1CCCC1)Cc1ncsc1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1ccsc1)Cc1ncsc1
• InChI: InChI=1S/C15H18N2OS2/c18-15(7-13-10-20-11-16-13)17(14-3-1-2-4-14)8-12-5-6-19-9-12/h5-6,9-11,14H,1-4,7-8H2
• InChIKey: GRXDYTLRJIMNAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-2-(1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC传统名: N-cyclopentyl-2-(1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
• 别名: N-cyclopentyl-2-(1,3-thiazol-4-yl)-N-(3-thienylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1554644
• LogD (pH = 7.4): 3.155661
• Log P: 3.1556637
• 摩尔折射率: 81.9492 cm^3
• 极化性: 31.577608 Å^3
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.17
• LOG S: -3.29
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 5