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

• ChemBase ID: 206894
• Molecular Formular: C24H18FNO3
• Molecular Mass: 387.4030232
• Monoisotopic Mass: 387.12707166
• SMILES: c12c(c(c3c(c2)CN(CO3)c2c(F)cccc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1oc2c(C)c3OCN(Cc3cc2c(c1)c1ccccc1)c1ccccc1F
• InChI: InChI=1S/C24H18FNO3/c1-15-23-17(13-26(14-28-23)21-10-6-5-9-20(21)25)11-19-18(12-22(27)29-24(15)19)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
• InChIKey: DHAYGZYIUZOJDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262804
• PubChem CID: 1777505

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.486103
• LogD (pH = 7.4): 5.486103
• Log P: 5.486103
• Molar Refractivity: 118.7038 cm^3
• Polarizability: 41.05927 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds