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

• ChemBase ID: 204651
• Molecular Formular: C26H22FNO3
• Molecular Mass: 415.4561832
• Monoisotopic Mass: 415.15837179
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C26H22FNO3/c1-16-22-13-19-14-28(21-10-8-20(27)9-11-21)15-30-24(19)17(2)25(22)31-26(29)23(16)12-18-6-4-3-5-7-18/h3-11,13H,12,14-15H2,1-2H3
• InChIKey: XPXINMPPCXMNRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260561
• PubChem CID: 1769272

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.3262224
• LogD (pH = 7.4): 6.3262224
• Log P: 6.3262224
• Molar Refractivity: 118.4862 cm^3
• Polarizability: 44.746906 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds