2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

• ChemBase编号: 380250
• 分子式: C16H19FN4O
• 平均质量: 302.3466632
• 单一同位素质量: 302.15428947
• SMILES: C(=O)(C(c1cc(F)ccc1)N(C)C)N(Cc1nccnc1)C
• Canonical SMILES: CN(C(C(=O)N(Cc1cnccn1)C)c1cccc(c1)F)C
• InChI: InChI=1S/C16H19FN4O/c1-20(2)15(12-5-4-6-13(17)9-12)16(22)21(3)11-14-10-18-7-8-19-14/h4-10,15H,11H2,1-3H3
• InChIKey: GSVGFQOJYXJKNJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
• IUPAC传统名: 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
• 别名: 2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-(2-pyrazinylmethyl)acetamide

理论计算性质

Provided by Chembridge

• 质子供体: 0
• Log P: 0.85
• LOG S: -2.13
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 4

JChem

• LogD (pH = 5.5): -0.70643765
• LogD (pH = 7.4): 0.62552243
• Log P: 0.7582938
• 摩尔折射率: 82.0392 cm^3
• 极化性: 31.571548 Å^3
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0