2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetohydrazide

• ChemBase编号: 179809
• 分子式: C17H15BrN4O2
• 平均质量: 387.2306
• 单一同位素质量: 386.03783774
• SMILES: N1(c2c(C(=NCC1=O)c1ccccc1)cc(cc2)Br)CC(=O)NN
• Canonical SMILES: NNC(=O)CN1C(=O)CN=C(c2c1ccc(c2)Br)c1ccccc1
• InChI: InChI=1S/C17H15BrN4O2/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-9-16(24)22(14)10-15(23)21-19/h1-8H,9-10,19H2,(H,21,23)
• InChIKey: XLGCMZLSEXRBSG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetohydrazide
• IUPAC传统名: 2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetohydrazide
• 别名: Gidazepam

登记号

• CAS号: 129186-29-4
• PubChem SID: 164235719
• PubChem CID: 121919

理论计算性质

• Acid pKa: 11.572047
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.6133171
• LogD (pH = 7.4): 1.6153076
• Log P: 1.6153595
• 摩尔折射率: 95.0208 cm^3
• 极化性: 35.728924 Å^3
• 极化表面积: 87.79 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

药理学性质

• 生物活性机理: Benzodiazepine receptor agonist

产品相关信息

• 应用领域: Possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties; Psychosedative; Tranquilizer