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

• ChemBase ID: 204795
• Molecular Formular: C23H15Cl2NO3
• Molecular Mass: 424.2761
• Monoisotopic Mass: 423.04289871
• SMILES: c12c3CN(c4cc(c(cc4)Cl)Cl)COc3ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C23H15Cl2NO3/c24-19-8-6-15(10-20(19)25)26-12-18-21(28-13-26)9-7-16-17(11-22(27)29-23(16)18)14-4-2-1-3-5-14/h1-11H,12-13H2
• InChIKey: GSPGMVNBVDGFOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260705
• PubChem CID: 1564223

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.0380692
• LogD (pH = 7.4): 6.0380692
• Log P: 6.0380692
• Molar Refractivity: 123.0558 cm^3
• Polarizability: 43.40181 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