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

• ChemBase ID: 207123
• Molecular Formular: C26H23NO4
• Molecular Mass: 413.46512
• Monoisotopic Mass: 413.16270822
• SMILES: c12c3c(OCN(C3)Cc3ccc(cc3)C)ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)Cc1ccc(cc1)C
• InChI: InChI=1S/C26H23NO4/c1-17-3-5-18(6-4-17)14-27-15-23-24(30-16-27)12-11-21-22(13-25(28)31-26(21)23)19-7-9-20(29-2)10-8-19/h3-13H,14-16H2,1-2H3
• InChIKey: IQMXCCHXPDJYOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263033
• PubChem CID: 1778118

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9569592
• LogD (pH = 7.4): 5.018243
• Log P: 5.019083
• Molar Refractivity: 129.0647 cm^3
• Polarizability: 46.153816 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds