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

• ChemBase ID: 204539
• Molecular Formular: C26H23NO4
• Molecular Mass: 413.46512
• Monoisotopic Mass: 413.16270822
• SMILES: c12c3CN(c4c(ccc(c4)C)C)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1cc(C)ccc1C
• InChI: InChI=1S/C26H23NO4/c1-16-4-5-17(2)23(12-16)27-14-22-24(30-15-27)11-10-20-21(13-25(28)31-26(20)22)18-6-8-19(29-3)9-7-18/h4-13H,14-15H2,1-3H3
• InChIKey: LCSODVDGMLRYLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260449
• PubChem CID: 1769005

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: 45.68697 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