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

• ChemBase ID: 183242
• Molecular Formular: C23H17NO3
• Molecular Mass: 355.38598
• Monoisotopic Mass: 355.12084341
• SMILES: c\1(=N/c2ccccc2)/cc(oc2c1cccc2)c1cc2c(OCCO2)cc1
• Canonical SMILES: c1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C23H17NO3/c1-2-6-17(7-3-1)24-19-15-22(27-20-9-5-4-8-18(19)20)16-10-11-21-23(14-16)26-13-12-25-21/h1-11,14-15H,12-13H2/b24-19+
• InChIKey: OIFFTKWAERSXPA-LYBHJNIJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239152
• PubChem CID: 1761091

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6422405
• LogD (pH = 7.4): 4.642276
• Log P: 4.6422763
• Molar Refractivity: 106.6742 cm^3
• Polarizability: 39.820656 Å^3
• Polar Surface Area: 40.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds