methyl 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoate

• ChemBase编号: 159764
• 分子式: C23H24N2O4
• 平均质量: 392.44766
• 单一同位素质量: 392.17360726
• SMILES: c1(cc(nc(n1)OC(C(c1ccccc1)(c1ccccc1)OC)C(=O)OC)C)C
• Canonical SMILES: COC(=O)C(C(c1ccccc1)(c1ccccc1)OC)Oc1nc(C)cc(n1)C
• InChI: InChI=1S/C23H24N2O4/c1-16-15-17(2)25-22(24-16)29-20(21(26)27-3)23(28-4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20H,1-4H3
• InChIKey: RCOLWOXJIUGEGI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoate
• IUPAC传统名: methyl 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoate
• 别名: α-[(4,6-Dimethyl-2-pyrimidinyl)oxy]-β-methoxy-β-phenyl-benzenepropanoic Acid Methyl Ester; rac Ambrisentan Methyl Ester

登记号

• CAS号: 1240470-84-1
• PubChem SID: 162253899
• PubChem CID: 10644218

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.915719
• LogD (pH = 7.4): 3.916205
• Log P: 3.9162111
• 摩尔折射率: 108.943 cm^3
• 极化性: 42.591854 Å^3
• 极化表面积: 70.54 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A575865

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