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

• ChemBase ID: 204165
• Molecular Formular: C30H23NO4
• Molecular Mass: 461.50792
• Monoisotopic Mass: 461.16270822
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccccc1)c1ccc(OCc2ccccc2)cc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c1CN(COc1cc2)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C30H23NO4/c32-29-17-26(22-9-5-2-6-10-22)25-15-16-28-27(30(25)35-29)18-31(20-34-28)23-11-13-24(14-12-23)33-19-21-7-3-1-4-8-21/h1-17H,18-20H2
• InChIKey: QDNLEBMQACEQST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260075
• PubChem CID: 1767986

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.396782
• LogD (pH = 7.4): 6.396782
• Log P: 6.396782
• Molar Refractivity: 144.522 cm^3
• Polarizability: 51.76118 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds