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

• ChemBase ID: 204517
• Molecular Formular: C24H17BrFNO4
• Molecular Mass: 482.2984832
• Monoisotopic Mass: 481.03249825
• SMILES: c12c3CN(c4c(cc(cc4)Br)F)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc(cc1F)Br
• InChI: InChI=1S/C24H17BrFNO4/c1-29-16-5-2-14(3-6-16)18-11-23(28)31-24-17(18)7-9-22-19(24)12-27(13-30-22)21-8-4-15(25)10-20(21)26/h2-11H,12-13H2,1H3
• InChIKey: FFXSELILGRWJLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260427
• PubChem CID: 1768941

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.583763
• LogD (pH = 7.4): 5.583763
• Log P: 5.583763
• Molar Refractivity: 127.7486 cm^3
• Polarizability: 44.628963 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds