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

• ChemBase ID: 204359
• Molecular Formular: C26H22ClNO6
• Molecular Mass: 479.90898
• Monoisotopic Mass: 479.11356511
• SMILES: c12c3CN(c4cc(c(cc4OC)OC)Cl)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1cc(Cl)c(cc1OC)OC
• InChI: InChI=1S/C26H22ClNO6/c1-30-16-6-4-15(5-7-16)18-10-25(29)34-26-17(18)8-9-22-19(26)13-28(14-33-22)21-11-20(27)23(31-2)12-24(21)32-3/h4-12H,13-14H2,1-3H3
• InChIKey: UMHOFLPDKWXWBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260269
• PubChem CID: 1768513

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.961011
• LogD (pH = 7.4): 4.961011
• Log P: 4.961011
• Molar Refractivity: 137.6406 cm^3
• Polarizability: 49.103092 Å^3
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds