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

• ChemBase ID: 205765
• Molecular Formular: C24H27NO5
• Molecular Mass: 409.47488
• Monoisotopic Mass: 409.18892297
• SMILES: c12c(c(cc(=O)o2)CCCC)cc2c(c1C)OCN(C2)c1cc(c(cc1)OC)OC
• Canonical SMILES: CCCCc1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C24H27NO5/c1-5-6-7-16-11-22(26)30-24-15(2)23-17(10-19(16)24)13-25(14-29-23)18-8-9-20(27-3)21(12-18)28-4/h8-12H,5-7,13-14H2,1-4H3
• InChIKey: WSQCUNDHWFBEML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261675
• PubChem CID: 1774816

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.2279606
• LogD (pH = 7.4): 5.2279606
• Log P: 5.2279606
• Molar Refractivity: 115.9461 cm^3
• Polarizability: 44.226147 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds