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

• ChemBase ID: 204064
• Molecular Formular: C26H23NO5
• Molecular Mass: 429.46452
• Monoisotopic Mass: 429.15762284
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)N1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C26H23NO5/c1-3-30-20-10-6-18(7-11-20)27-15-23-24(31-16-27)13-12-21-22(14-25(28)32-26(21)23)17-4-8-19(29-2)9-5-17/h4-14H,3,15-16H2,1-2H3
• InChIKey: BDDKAJPDNHOOTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259974
• PubChem CID: 1767662

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.871445
• LogD (pH = 7.4): 4.871445
• Log P: 4.871445
• Molar Refractivity: 131.1212 cm^3
• Polarizability: 46.514305 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds