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

• ChemBase ID: 205816
• Molecular Formular: C24H27NO6
• Molecular Mass: 425.47428
• Monoisotopic Mass: 425.18383759
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)Cc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C24H27NO6/c1-6-16-10-21(26)31-23-14(2)22-17(9-18(16)23)12-25(13-30-22)11-15-7-19(27-3)24(29-5)20(8-15)28-4/h7-10H,6,11-13H2,1-5H3
• InChIKey: OQUCIRFLQUDNMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261726
• PubChem CID: 1774986

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.995733
• LogD (pH = 7.4): 4.0142636
• Log P: 4.014505
• Molar Refractivity: 117.3214 cm^3
• Polarizability: 45.296375 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