1-[(4Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4H-chromen-4-ylidene]-2-phenylhydrazine

• ChemBase编号: 183858
• 分子式: C24H20N2O3
• 平均质量: 384.4272
• 单一同位素质量: 384.14739251
• SMILES: c1(c/c(=N/Nc2ccccc2)/c2c(o1)ccc(c2)C)c1cc2c(OCCO2)cc1
• Canonical SMILES: Cc1ccc2c(c1)/c(=N\Nc1ccccc1)/cc(o2)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C24H20N2O3/c1-16-7-9-21-19(13-16)20(26-25-18-5-3-2-4-6-18)15-23(29-21)17-8-10-22-24(14-17)28-12-11-27-22/h2-10,13-15,25H,11-12H2,1H3/b26-20-
• InChIKey: ZECZQJABFKHRIC-QOMWVZHYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(4Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4H-chromen-4-ylidene]-2-phenylhydrazine
• IUPAC传统名: 1-[(4Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylchromen-4-ylidene]-2-phenylhydrazine

登记号

• PubChem SID: 164239768
• PubChem CID: 5575399

理论计算性质

• 摩尔折射率: 114.7075 cm^3
• 极化性: 42.730347 Å^3
• 极化表面积: 52.08 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false
• Acid pKa: 16.38175
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 5.095814
• LogD (pH = 7.4): 5.108117
• Log P: 5.1088037

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds