(Z)-N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethenimidamide hydrochloride

• ChemBase编号: 185819
• 分子式: C28H35ClN2O4
• 平均质量: 499.0415
• 单一同位素质量: 498.22853529
• SMILES: C(=N\CCc1cc(c(cc1)OC)OC)(\NCCc1cc(c(cc1)OC)OC)/Cc1ccccc1.Cl
• Canonical SMILES: COc1ccc(cc1OC)CCN/C(=N\CCc1ccc(c(c1)OC)OC)/Cc1ccccc1.Cl
• InChI: InChI=1S/C28H34N2O4.ClH/c1-31-24-12-10-22(18-26(24)33-3)14-16-29-28(20-21-8-6-5-7-9-21)30-17-15-23-11-13-25(32-2)27(19-23)34-4;/h5-13,18-19H,14-17,20H2,1-4H3,(H,29,30);1H
• InChIKey: WFESDOJXWJQUNA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethenimidamide hydrochloride
• IUPAC传统名: (Z)-N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethenimidamide hydrochloride

登记号

• PubChem SID: 164241729
• PubChem CID: 52993440

理论计算性质

• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 2.3557959
• LogD (pH = 7.4): 2.3937318
• Log P: 4.7707486
• 摩尔折射率: 135.6263 cm^3
• 极化性: 52.349827 Å^3
• 极化表面积: 61.31 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: HCl
• 分类: Derivatives & analogs of Natural Compounds