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

• ChemBase ID: 206174
• Molecular Formular: C20H18FNO3
• Molecular Mass: 339.3602232
• Monoisotopic Mass: 339.12707166
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)c1ccc(cc1)F
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1)F
• InChI: InChI=1S/C20H18FNO3/c1-3-13-9-18(23)25-20-12(2)19-14(8-17(13)20)10-22(11-24-19)16-6-4-15(21)5-7-16/h4-9H,3,10-11H2,1-2H3
• InChIKey: GDZRFDBZDBZCBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262084
• PubChem CID: 1807018

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.796868
• LogD (pH = 7.4): 4.796868
• Log P: 4.796868
• Molar Refractivity: 94.0341 cm^3
• Polarizability: 35.170662 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds