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

• ChemBase ID: 207645
• Molecular Formular: C24H18FNO3
• Molecular Mass: 387.4030232
• Monoisotopic Mass: 387.12707166
• SMILES: c12c3c(OCN(C3)Cc3c(F)cccc3)ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)Cc1ccccc1F
• InChI: InChI=1S/C24H18FNO3/c25-21-9-5-4-8-17(21)13-26-14-20-22(28-15-26)11-10-18-19(12-23(27)29-24(18)20)16-6-2-1-3-7-16/h1-12H,13-15H2
• InChIKey: CITMRWDITDAYCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263555
• PubChem CID: 1780451

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7950215
• LogD (pH = 7.4): 4.8058944
• Log P: 4.8060346
• Molar Refractivity: 117.7767 cm^3
• Polarizability: 41.51533 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds