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

• ChemBase ID: 207356
• Molecular Formular: C26H20F3NO4
• Molecular Mass: 467.4365096
• Monoisotopic Mass: 467.13444279
• SMILES: c12c(c(c3c(c2)CN(CO3)c2cc(C(F)(F)F)ccc2)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C26H20F3NO4/c1-15-24-17(13-30(14-33-24)19-5-3-4-18(11-19)26(27,28)29)10-22-21(12-23(31)34-25(15)22)16-6-8-20(32-2)9-7-16/h3-12H,13-14H2,1-2H3
• InChIKey: ANBRQYUQDDBCPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263266
• PubChem CID: 1779487

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.0635786
• LogD (pH = 7.4): 6.0635786
• Log P: 6.0635786
• Molar Refractivity: 130.9243 cm^3
• Polarizability: 44.94011 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds