7-benzyl-3-(3,4-dimethoxyphenyl)-6,10-dimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 207301
• Molecular Formular: C28H27NO5
• Molecular Mass: 457.51768
• Monoisotopic Mass: 457.18892297
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C28H27NO5/c1-17-22-13-20-15-29(21-10-11-24(31-3)25(14-21)32-4)16-33-26(20)18(2)27(22)34-28(30)23(17)12-19-8-6-5-7-9-19/h5-11,13-14H,12,15-16H2,1-4H3
• InChIKey: LNNNFUZBAGXMAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263211
• PubChem CID: 1778642

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.868178
• LogD (pH = 7.4): 5.868178
• Log P: 5.868178
• Molar Refractivity: 131.1962 cm^3
• Polarizability: 50.13291 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds