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

• ChemBase ID: 204899
• Molecular Formular: C19H16FNO3
• Molecular Mass: 325.3336432
• Monoisotopic Mass: 325.1114216
• SMILES: c12c3CN(COc3ccc2c(c(c(=O)o1)C)C)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)N1COc2c(C1)c1oc(=O)c(c(c1cc2)C)C
• InChI: InChI=1S/C19H16FNO3/c1-11-12(2)19(22)24-18-15(11)6-7-17-16(18)9-21(10-23-17)14-5-3-4-13(20)8-14/h3-8H,9-10H2,1-2H3
• InChIKey: RHPGTBWNYZUKKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260809
• PubChem CID: 1771287

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2344284
• LogD (pH = 7.4): 4.2344284
• Log P: 4.2344284
• Molar Refractivity: 88.749 cm^3
• Polarizability: 33.407864 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