methyl 2-(4-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazol-1-yl]methyl}phenyl)benzoate

• ChemBase编号: 174229
• 分子式: C34H32N4O2
• 平均质量: 528.64348
• 单一同位素质量: 528.25252628
• SMILES: c1c(cc2c(c1C)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)OC)CCC)c1nc2c(n1C)cccc2
• Canonical SMILES: CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)OC)cc(cc2C)c1nc2c(n1C)cccc2
• InChI: InChI=1S/C34H32N4O2/c1-5-10-31-36-32-22(2)19-25(33-35-28-13-8-9-14-29(28)37(33)3)20-30(32)38(31)21-23-15-17-24(18-16-23)26-11-6-7-12-27(26)34(39)40-4/h6-9,11-20H,5,10,21H2,1-4H3
• InChIKey: HJCCZIABCSDUPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-(4-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazol-1-yl]methyl}phenyl)benzoate
• IUPAC传统名: methyl 2-(4-{[4-methyl-6-(1-methyl-1,3-benzodiazol-2-yl)-2-propyl-1,3-benzodiazol-1-yl]methyl}phenyl)benzoate
• 别名: 4'-[(1,4'-Dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic Acid Methyl Ester; Telmisartan Methyl Ester; Methyl 4'-[[2-n-Propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]methyl]biphenyl-2-carboxylate; 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1h-benzimidazole)-1'-yl)methyl)-1,1'-biphenyl-2-carboxylic acid methyl ester

登记号

• CAS号: 528560-93-2
• PubChem SID: 164230139
• PubChem CID: 11497808

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 7.462524
• LogD (pH = 7.4): 8.15292
• Log P: 8.17465
• 摩尔折射率: 169.2579 cm^3
• 极化性: 65.12664 Å^3
• 极化表面积: 61.94 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate; Methanol
• 外观: Pale Yellow Solid
• 熔点: 67-69°C

安全信息

• 保存条件: Refrigerator

产品相关信息

• 纯度: 98%