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

• ChemBase ID: 204767
• Molecular Formular: C24H27NO5
• Molecular Mass: 409.47488
• Monoisotopic Mass: 409.18892297
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)OCN(C2)Cc1c(cc(cc1)OC)OC
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(cc1OC)OC
• InChI: InChI=1S/C24H27NO5/c1-5-6-16-10-22(26)30-24-15(2)23-18(9-20(16)24)13-25(14-29-23)12-17-7-8-19(27-3)11-21(17)28-4/h7-11H,5-6,12-14H2,1-4H3
• InChIKey: CIUIFJFXGQLGDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260677
• PubChem CID: 1770302

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.595658
• LogD (pH = 7.4): 4.616473
• Log P: 4.616745
• Molar Refractivity: 115.4592 cm^3
• Polarizability: 44.607582 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds