10-methyl-6-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 207559
• Molecular Formular: C28H27NO6
• Molecular Mass: 473.51708
• Monoisotopic Mass: 473.18383759
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2cc(c(c(c2)OC)OC)OC)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: COc1cc(CN2COc3c(C2)cc2c(c3C)oc(=O)cc2c2ccccc2)cc(c1OC)OC
• InChI: InChI=1S/C28H27NO6/c1-17-26-20(12-22-21(13-25(30)35-27(17)22)19-8-6-5-7-9-19)15-29(16-34-26)14-18-10-23(31-2)28(33-4)24(11-18)32-3/h5-13H,14-16H2,1-4H3
• InChIKey: ILIMQPJELCUGPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methyl-6-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 10-methyl-6-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164263469
• PubChem CID: 1780100

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.6854935
• LogD (pH = 7.4): 4.703506
• Log P: 4.7037406
• Molar Refractivity: 141.9911 cm^3
• Polarizability: 51.18929 Å^3
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds