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

• ChemBase ID: 206805
• Molecular Formular: C25H20FNO4
• Molecular Mass: 417.4290032
• Monoisotopic Mass: 417.13763635
• SMILES: c12c3c(OCN(C3)Cc3ccc(F)cc3)ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)Cc1ccc(cc1)F
• InChI: InChI=1S/C25H20FNO4/c1-29-19-8-4-17(5-9-19)21-12-24(28)31-25-20(21)10-11-23-22(25)14-27(15-30-23)13-16-2-6-18(26)7-3-16/h2-12H,13-15H2,1H3
• InChIKey: PXYOGWFHUSGTGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262715
• PubChem CID: 1777249

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.631694
• LogD (pH = 7.4): 4.6481495
• Log P: 4.6483636
• Molar Refractivity: 124.2399 cm^3
• Polarizability: 44.037712 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds