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

• ChemBase ID: 206681
• Molecular Formular: C24H18ClNO3
• Molecular Mass: 403.85762
• Monoisotopic Mass: 403.09752112
• SMILES: c12c3CN(c4cc(c(cc4)C)Cl)COc3ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)c1ccc(c(c1)Cl)C
• InChI: InChI=1S/C24H18ClNO3/c1-15-7-8-17(11-21(15)25)26-13-20-22(28-14-26)10-9-18-19(12-23(27)29-24(18)20)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3
• InChIKey: LNIFWWFRJZMZMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262591
• PubChem CID: 1776840

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.947446
• LogD (pH = 7.4): 5.947446
• Log P: 5.947446
• Molar Refractivity: 123.2922 cm^3
• Polarizability: 43.265076 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds