3,6-bis(4-methoxyphenyl)-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 207051
• Molecular Formular: C26H23NO5
• Molecular Mass: 429.46452
• Monoisotopic Mass: 429.15762284
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(cc2)OC)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccc(cc1)OC
• InChI: InChI=1S/C26H23NO5/c1-16-25-18(14-27(15-31-25)19-6-10-21(30-3)11-7-19)12-23-22(13-24(28)32-26(16)23)17-4-8-20(29-2)9-5-17/h4-13H,14-15H2,1-3H3
• InChIKey: NOYXVKJSYFPWTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-bis(4-methoxyphenyl)-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 3,6-bis(4-methoxyphenyl)-10-methyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164262961
• PubChem CID: 1777879

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.0280585
• LogD (pH = 7.4): 5.0280585
• Log P: 5.0280585
• Molar Refractivity: 131.4138 cm^3
• Polarizability: 46.43941 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds