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

• ChemBase ID: 204443
• Molecular Formular: C26H23NO5
• Molecular Mass: 429.46452
• Monoisotopic Mass: 429.15762284
• SMILES: c12c3c(OCN(C3)Cc3c(OC)cccc3)ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)Cc1ccccc1OC
• InChI: InChI=1S/C26H23NO5/c1-29-19-9-7-17(8-10-19)21-13-25(28)32-26-20(21)11-12-24-22(26)15-27(16-31-24)14-18-5-3-4-6-23(18)30-2/h3-13H,14-16H2,1-2H3
• InChIKey: RBVDZTWBFHDXCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260353
• PubChem CID: 1768762

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.324031
• LogD (pH = 7.4): 4.34768
• Log P: 4.3479905
• Molar Refractivity: 130.4867 cm^3
• Polarizability: 46.900448 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