5-phenyl-2-(triphenylmethyl)-2H-1,2,3,4-tetrazole

• ChemBase编号: 176675
• 分子式: C26H20N4
• 平均质量: 388.4638
• 单一同位素质量: 388.16879666
• SMILES: n1(nc(nn1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H20N4/c1-5-13-21(14-6-1)25-27-29-30(28-25)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
• InChIKey: HOCMARZVAUWOFA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-phenyl-2-(triphenylmethyl)-2H-1,2,3,4-tetrazole
• IUPAC传统名: 5-phenyl-2-(triphenylmethyl)-1,2,3,4-tetrazole
• 别名: 5-Phenyl-2-(triphenylmethyl)-2H-tetrazole; 5-Phenyl-2-trityltetrazole

登记号

• CAS号: 87268-78-8
• PubChem SID: 164232585
• PubChem CID: 3292959

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 7.231593
• LogD (pH = 7.4): 7.231593
• Log P: 7.231593
• 摩尔折射率: 143.6864 cm^3
• 极化性: 46.273945 Å^3
• 极化表面积: 43.6 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol; Tetrahydrofuran

详细说明

Toronto Research Chemicals - P337900

An intermediate in the synthesis of Losartan

参考文献

• Chu, L., et al.: Bioorg. Med. Chem. Lett., 5, 2245 (1995)