9-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 207510
• Molecular Formular: C26H23NO4
• Molecular Mass: 413.46512
• Monoisotopic Mass: 413.16270822
• SMILES: c12c3CN(c4cc(cc(c4)C)C)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1cc(C)cc(c1)C
• InChI: InChI=1S/C26H23NO4/c1-16-10-17(2)12-19(11-16)27-14-23-24(30-15-27)9-8-21-22(13-25(28)31-26(21)23)18-4-6-20(29-3)7-5-18/h4-13H,14-15H2,1-3H3
• InChIKey: QWQKRZBQRNGDKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164263420
• PubChem CID: 1779954

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.6991515
• LogD (pH = 7.4): 5.6991515
• Log P: 5.6991515
• Molar Refractivity: 129.9918 cm^3
• Polarizability: 45.687195 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