(dicyclopropylmethyl)({[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine

• ChemBase编号: 783817
• 分子式: C24H27N3O
• 平均质量: 373.49068
• 单一同位素质量: 373.2154125
• SMILES: c1(nc(on1)CN(C(C1CC1)C1CC1)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(C(C1CC1)C1CC1)Cc1onc(n1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H27N3O/c1-27(23(19-12-13-19)20-14-15-20)16-21-25-24(26-28-21)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20,22-23H,12-16H2,1H3
• InChIKey: LOTQHRHWLWKTEO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (dicyclopropylmethyl)({[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine
• IUPAC传统名: (dicyclopropylmethyl)({[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine
• 别名: (dicyclopropylmethyl){[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}methylamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.9966729
• LogD (pH = 7.4): 4.7713714
• Log P: 5.4715586
• 摩尔折射率: 112.1138 cm^3
• 极化性: 43.032784 Å^3
• 极化表面积: 42.16 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.33
• LOG S: -3.91
• 极化表面积: 42.16 Å^2
• 可自由旋转的化学键: 8