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

• ChemBase ID: 204751
• Molecular Formular: C28H27NO4
• Molecular Mass: 441.51828
• Monoisotopic Mass: 441.19400835
• SMILES: c12c(c(c3c(c2)CN(c2c(cc(cc2C)C)C)CO3)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C28H27NO4/c1-16-10-17(2)26(18(3)11-16)29-14-21-12-24-23(20-6-8-22(31-5)9-7-20)13-25(30)33-28(24)19(4)27(21)32-15-29/h6-13H,14-15H2,1-5H3
• InChIKey: GVOHSBYUVDJLEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260661
• PubChem CID: 1770252

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.725994
• LogD (pH = 7.4): 6.725994
• Log P: 6.725994
• Molar Refractivity: 140.0742 cm^3
• Polarizability: 49.218964 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds