9-[(4-chlorophenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 204088
• Molecular Formular: C24H18ClNO3
• Molecular Mass: 403.85762
• Monoisotopic Mass: 403.09752112
• SMILES: c12c3c(OCN(C3)Cc3ccc(Cl)cc3)ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: Clc1ccc(cc1)CN1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C24H18ClNO3/c25-18-8-6-16(7-9-18)13-26-14-21-22(28-15-26)11-10-19-20(12-23(27)29-24(19)21)17-4-2-1-3-5-17/h1-12H,13-15H2
• InChIKey: WFLJNWYMLIZPHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(4-chlorophenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-[(4-chlorophenyl)methyl]-4-phenyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164259998
• PubChem CID: 1767734

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.255607
• LogD (pH = 7.4): 5.267227
• Log P: 5.2673774
• Molar Refractivity: 122.3651 cm^3
• Polarizability: 43.72725 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds