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

• ChemBase ID: 207768
• Molecular Formular: C26H21NO6
• Molecular Mass: 443.44804
• Monoisotopic Mass: 443.1368874
• SMILES: c12c3CN(COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC)c1ccc(C(=O)OC)cc1
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc(cc1)C(=O)OC
• InChI: InChI=1S/C26H21NO6/c1-30-19-9-5-16(6-10-19)21-13-24(28)33-25-20(21)11-12-23-22(25)14-27(15-32-23)18-7-3-17(4-8-18)26(29)31-2/h3-13H,14-15H2,1-2H3
• InChIKey: RVUYVXAQWXBMGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263678
• PubChem CID: 1780812

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.6757855
• LogD (pH = 7.4): 4.6757855
• Log P: 4.6757855
• Molar Refractivity: 131.9347 cm^3
• Polarizability: 46.583836 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds