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

• ChemBase ID: 204135
• Molecular Formular: C20H18ClNO4
• Molecular Mass: 371.81422
• Monoisotopic Mass: 371.09243574
• SMILES: c12c3CN(c4cc(c(cc4)OC)Cl)COc3ccc2c(c(c(=O)o1)C)C
• Canonical SMILES: COc1ccc(cc1Cl)N1COc2c(C1)c1oc(=O)c(c(c1cc2)C)C
• InChI: InChI=1S/C20H18ClNO4/c1-11-12(2)20(23)26-19-14(11)5-7-17-15(19)9-22(10-25-17)13-4-6-18(24-3)16(21)8-13/h4-8H,9-10H2,1-3H3
• InChIKey: ZEWZBAUFPJSEFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260045
• PubChem CID: 1767891

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.5381
• LogD (pH = 7.4): 4.5381
• Log P: 4.5381
• Molar Refractivity: 99.8006 cm^3
• Polarizability: 38.1608 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds