8-bromo-3-butyl-1-chloro-5H,10H-imidazo[1,5-b]isoquinoline

• ChemBase编号: 162778
• 分子式: C15H16BrClN2
• 平均质量: 339.65794
• 单一同位素质量: 338.0185382
• SMILES: c1(cc2c(cc1)Cn1c(C2)c(nc1CCCC)Cl)Br
• Canonical SMILES: CCCCc1nc(c2n1Cc1ccc(cc1C2)Br)Cl
• InChI: InChI=1S/C15H16BrClN2/c1-2-3-4-14-18-15(17)13-8-11-7-12(16)6-5-10(11)9-19(13)14/h5-7H,2-4,8-9H2,1H3
• InChIKey: WRYSWTBLGKTJBJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-bromo-3-butyl-1-chloro-5H,10H-imidazo[1,5-b]isoquinoline
• IUPAC传统名: 8-bromo-3-butyl-1-chloro-5H,10H-imidazo[1,5-b]isoquinoline
• 别名: 8-Bromo-3-butyl-1-chloro-5,10-dihydroimidazo[1,5-b]isoquinoline

登记号

• PubChem SID: 162256913
• PubChem CID: 71314222

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.914139
• LogD (pH = 7.4): 4.9902124
• Log P: 4.991279
• 摩尔折射率: 83.9913 cm^3
• 极化性: 31.520102 Å^3
• 极化表面积: 17.82 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate; Methanol

详细说明

Toronto Research Chemicals - B681995

Intermediate in the production of Losartan impurities