9-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 206843
• Molecular Formular: C24H17Cl2NO4
• Molecular Mass: 454.30208
• Monoisotopic Mass: 453.05346339
• SMILES: c12c3CN(c4cc(cc(c4)Cl)Cl)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C24H17Cl2NO4/c1-29-18-4-2-14(3-5-18)20-11-23(28)31-24-19(20)6-7-22-21(24)12-27(13-30-22)17-9-15(25)8-16(26)10-17/h2-11H,12-13H2,1H3
• InChIKey: HCLRQILMLBFSTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164262753
• PubChem CID: 1777369

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.880398
• LogD (pH = 7.4): 5.880398
• Log P: 5.880398
• Molar Refractivity: 129.519 cm^3
• Polarizability: 45.91779 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