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

• ChemBase ID: 204503
• Molecular Formular: C24H18ClNO4
• Molecular Mass: 419.85702
• Monoisotopic Mass: 419.09243574
• SMILES: c12c3CN(c4cc(c(cc4)OC)Cl)COc3ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: COc1ccc(cc1Cl)N1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
• InChI: InChI=1S/C24H18ClNO4/c1-28-22-9-7-16(11-20(22)25)26-13-19-21(29-14-26)10-8-17-18(12-23(27)30-24(17)19)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3
• InChIKey: ROURZYMAVCPMST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260413
• PubChem CID: 1768902

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2763534
• LogD (pH = 7.4): 5.2763534
• Log P: 5.2763534
• Molar Refractivity: 124.7142 cm^3
• Polarizability: 44.045353 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds