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

• ChemBase ID: 207100
• Molecular Formular: C19H16FNO3
• Molecular Mass: 325.3336432
• Monoisotopic Mass: 325.1114216
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1cc(c(cc1)C)F
• Canonical SMILES: O=c1cc(C)c2c(o1)c1CN(COc1cc2)c1ccc(c(c1)F)C
• InChI: InChI=1S/C19H16FNO3/c1-11-3-4-13(8-16(11)20)21-9-15-17(23-10-21)6-5-14-12(2)7-18(22)24-19(14)15/h3-8H,9-10H2,1-2H3
• InChIKey: GEKXWACZALLMBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263010
• PubChem CID: 1778027

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.352299
• LogD (pH = 7.4): 4.352299
• Log P: 4.352299
• Molar Refractivity: 89.4331 cm^3
• Polarizability: 33.333546 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds