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

• ChemBase ID: 207360
• Molecular Formular: C26H22FNO3
• Molecular Mass: 415.4561832
• Monoisotopic Mass: 415.15837179
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C26H22FNO3/c1-16-20-13-19-14-28(23-11-7-6-10-22(23)27)15-30-24(19)17(2)25(20)31-26(29)21(16)12-18-8-4-3-5-9-18/h3-11,13H,12,14-15H2,1-2H3
• InChIKey: UAIIMCGJPZGKJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263270
• PubChem CID: 1779506

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: 44.74819 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