(4E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-N-phenyl-4H-chromen-4-imine

• ChemBase ID: 182288
• Molecular Formular: C24H19NO3
• Molecular Mass: 369.41256
• Monoisotopic Mass: 369.13649347
• SMILES: c\1(=N/c2ccccc2)/cc(oc2c1ccc(c2)C)c1cc2c(OCCO2)cc1
• Canonical SMILES: Cc1ccc2c(c1)oc(c/c/2=N\c1ccccc1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C24H19NO3/c1-16-7-9-19-20(25-18-5-3-2-4-6-18)15-22(28-23(19)13-16)17-8-10-21-24(14-17)27-12-11-26-21/h2-10,13-15H,11-12H2,1H3/b25-20+
• InChIKey: UVOLQUCJXJOWEI-LKUDQCMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-N-phenyl-4H-chromen-4-imine
• IUPAC Traditional name: (4E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-N-phenylchromen-4-imine

Database IDs

• PubChem SID: 164238198
• PubChem CID: 1803551

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.1556554
• LogD (pH = 7.4): 5.155697
• Log P: 5.1556973
• Molar Refractivity: 111.7154 cm^3
• Polarizability: 41.58647 Å^3
• Polar Surface Area: 40.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds