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

• ChemBase ID: 198420
• Molecular Formular: C26H23NO4
• Molecular Mass: 413.46512
• Monoisotopic Mass: 413.16270822
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2ccc(cc2)OC)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: COc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO4/c1-17-25-20(15-27(16-30-25)14-18-8-10-21(29-2)11-9-18)12-23-22(13-24(28)31-26(17)23)19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3
• InChIKey: ITZMJKXCZYAVNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254330
• PubChem CID: 1802314

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.968304
• LogD (pH = 7.4): 5.0184054
• Log P: 5.019083
• Molar Refractivity: 129.0647 cm^3
• Polarizability: 46.15635 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