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

• ChemBase ID: 183858
• Molecular Formular: C24H20N2O3
• Molecular Mass: 384.4272
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239768
• PubChem CID: 5575399

CALCULATED PROPERTIES

• Molar Refractivity: 114.7075 cm^3
• Polarizability: 42.730347 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• Acid pKa: 16.38175
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 5.095814
• LogD (pH = 7.4): 5.108117
• Log P: 5.1088037

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds