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

• ChemBase ID: 204642
• Molecular Formular: C24H18FNO4
• Molecular Mass: 403.4024232
• Monoisotopic Mass: 403.12198628
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC)c1ccc(cc1)F
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc(cc1)F
• InChI: InChI=1S/C24H18FNO4/c1-28-18-8-2-15(3-9-18)20-12-23(27)30-24-19(20)10-11-22-21(24)13-26(14-29-22)17-6-4-16(25)5-7-17/h2-12H,13-14H2,1H3
• InChIKey: KGYQZMDVHHHZTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260552
• PubChem CID: 1769251

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.8150105
• LogD (pH = 7.4): 4.8150105
• Log P: 4.8150105
• Molar Refractivity: 120.1258 cm^3
• Polarizability: 41.820095 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds