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

• ChemBase ID: 199610
• Molecular Formular: C23H18N2O3
• Molecular Mass: 370.40062
• Monoisotopic Mass: 370.13174245
• SMILES: c1(c/c(=N\Nc2ccccc2)/c2c(o1)cccc2)c1cc2c(OCCO2)cc1
• Canonical SMILES: c1ccc(cc1)N/N=c/1\cc(oc2c1cccc2)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C23H18N2O3/c1-2-6-17(7-3-1)24-25-19-15-22(28-20-9-5-4-8-18(19)20)16-10-11-21-23(14-16)27-13-12-26-21/h1-11,14-15,24H,12-13H2/b25-19+
• InChIKey: QZLHYCOLMYADHU-NCELDCMTSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255520
• PubChem CID: 5581676

CALCULATED PROPERTIES

• Acid pKa: 16.382542
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.5842824
• LogD (pH = 7.4): 4.5947967
• Log P: 4.595382
• Molar Refractivity: 109.6663 cm^3
• Polarizability: 40.96532 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds