2-(diphenylphosphoroso)acetohydrazide

• ChemBase编号: 179806
• 分子式: C14H15N2O2P
• 平均质量: 274.254861
• 单一同位素质量: 274.08711436
• SMILES: P(=O)(CC(=O)NN)(c1ccccc1)c1ccccc1
• Canonical SMILES: NNC(=O)CP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H15N2O2P/c15-16-14(17)11-19(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11,15H2,(H,16,17)
• InChIKey: PMHFLBQRALFMRT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(diphenylphosphoroso)acetohydrazide
• IUPAC传统名: 2-(diphenylphosphoroso)acetohydrazide
• 别名: Gidifen; Fosfabenzid; Phosphabenzide; Fosenazide

登记号

• CAS号: 16543-10-5
• PubChem SID: 164235716
• PubChem CID: 27918

理论计算性质

• Acid pKa: 10.485158
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.7367212
• LogD (pH = 7.4): 1.7373316
• Log P: 1.7377
• 摩尔折射率: 75.6791 cm^3
• 极化性: 29.652775 Å^3
• 极化表面积: 72.19 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 应用领域: Anticonvulsant; Antiepileptic agent; Antitubercular agent; Psychosedative; Tranquilliser

参考文献

• Razumov, A.I. et al., Zh. Obshch. Khim., 1967, 37, 421; 1976, 46, 1412; J. Gen. Chem. USSR (Engl. Transl.), 1967, 37, 393; 1976, 46, 1388, (synth, pharmacol)
• Zaikonnikova, I.V. et al., Farmakol. Toksikol. (Moscow), 1980, 43(4), 334, (pharmacol)
• Razumov, A.I. et al., Zh. Prikl. Khim. (Leningrad), 1983, 56, 342; J. Appl. Chem. USSR (Engl. Transl.), 1983, 56, 325, (synth)