N-{2-[5-(5-ethylfuran-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-N-methylmethanesulfonamide

• ChemBase编号: 715287
• 分子式: C19H23N3O3S
• 平均质量: 373.46922
• 单一同位素质量: 373.14601261
• SMILES: c1(c2oc(cc2)CC)c(ncn1CCN(S(=O)(=O)C)C)c1ccccc1
• Canonical SMILES: CCc1ccc(o1)c1n(CCN(S(=O)(=O)C)C)cnc1c1ccccc1
• InChI: InChI=1S/C19H23N3O3S/c1-4-16-10-11-17(25-16)19-18(15-8-6-5-7-9-15)20-14-22(19)13-12-21(2)26(3,23)24/h5-11,14H,4,12-13H2,1-3H3
• InChIKey: YJWUDPAFIHZLRD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[5-(5-ethylfuran-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-N-methylmethanesulfonamide
• IUPAC传统名: N-{2-[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl}-N-methylmethanesulfonamide
• 别名: N-{2-[5-(5-ethyl-2-furyl)-4-phenyl-1H-imidazol-1-yl]ethyl}-N-methylmethanesulfonamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.1490562
• LogD (pH = 7.4): 2.20095
• Log P: 2.201662
• 摩尔折射率: 101.6433 cm^3
• 极化性: 42.19496 Å^3
• 极化表面积: 68.34 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.95
• LOG S: -6.15
• 极化表面积: 68.34 Å^2
• 可自由旋转的化学键: 6