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

• ChemBase ID: 206257
• Molecular Formular: C24H17BrFNO3
• Molecular Mass: 466.2990832
• Monoisotopic Mass: 465.03758363
• SMILES: c12c(c(c3c(c2)CN(c2c(cc(cc2)Br)F)CO3)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Brc1ccc(c(c1)F)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C24H17BrFNO3/c1-14-23-16(12-27(13-29-23)21-8-7-17(25)10-20(21)26)9-19-18(11-22(28)30-24(14)19)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
• InChIKey: HSMRCHQHTYIHQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262167
• PubChem CID: 1807263

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.2548556
• LogD (pH = 7.4): 6.2548556
• Log P: 6.2548556
• Molar Refractivity: 126.3266 cm^3
• Polarizability: 43.83351 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