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

• ChemBase ID: 207235
• Molecular Formular: C25H20ClNO5
• Molecular Mass: 449.883
• Monoisotopic Mass: 449.10300043
• SMILES: c12c3CN(c4cc(c(cc4)OC)Cl)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc(c(c1)Cl)OC
• InChI: InChI=1S/C25H20ClNO5/c1-29-17-6-3-15(4-7-17)19-12-24(28)32-25-18(19)8-10-22-20(25)13-27(14-31-22)16-5-9-23(30-2)21(26)11-16/h3-12H,13-14H2,1-2H3
• InChIKey: XSJCABAOLUOGAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263145
• PubChem CID: 1778450

CALCULATED PROPERTIES

• Polarizability: 46.573235 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.118682
• LogD (pH = 7.4): 5.118682
• Log P: 5.118682
• Molar Refractivity: 131.1774 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds