N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-9H-fluorene-9-carboxamide

• ChemBase编号: 640807
• 分子式: C24H24N2O
• 平均质量: 356.46016
• 单一同位素质量: 356.1888634
• SMILES: C(=O)(C1c2c(c3c1cccc3)cccc2)N(C(Cc1nccc(c1)C)C)C
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)C1c2ccccc2c2c1cccc2)C)C
• InChI: InChI=1S/C24H24N2O/c1-16-12-13-25-18(14-16)15-17(2)26(3)24(27)23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-14,17,23H,15H2,1-3H3
• InChIKey: NQHSZJFILWZCCK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-9H-fluorene-9-carboxamide
• IUPAC传统名: N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-9H-fluorene-9-carboxamide
• 别名: N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]-9H-fluorene-9-carboxamide

理论计算性质

JChem

• Acid pKa: 14.815707
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.1601934
• LogD (pH = 7.4): 4.3542566
• Log P: 4.3574553
• 摩尔折射率: 108.8218 cm^3
• 极化性: 43.348564 Å^3
• 极化表面积: 33.2 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: 2
• 质子供体: 0
• Log P: 3.71
• LOG S: -4.78
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 4