3-(4-chlorophenyl)-6-(4-methoxyphenyl)-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 205568
• Molecular Formular: C25H20ClNO4
• Molecular Mass: 433.8836
• Monoisotopic Mass: 433.10808581
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(cc2)Cl)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1)Cl
• InChI: InChI=1S/C25H20ClNO4/c1-15-24-17(13-27(14-30-24)19-7-5-18(26)6-8-19)11-22-21(12-23(28)31-25(15)22)16-3-9-20(29-2)10-4-16/h3-12H,13-14H2,1-2H3
• InChIKey: KUORXVZDAKCJIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-10-methyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164261478
• PubChem CID: 1773691

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.789775
• LogD (pH = 7.4): 5.789775
• Log P: 5.789775
• Molar Refractivity: 129.7554 cm^3
• Polarizability: 45.777626 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