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

• ChemBase ID: 205745
• Molecular Formular: C24H27NO3
• Molecular Mass: 377.47608
• Monoisotopic Mass: 377.19909373
• SMILES: c12c(c(cc(=O)o2)CCCC)cc2c(c1C)OCN(C2)C(c1ccccc1)C
• Canonical SMILES: CCCCc1cc(=O)oc2c1cc1CN(COc1c2C)C(c1ccccc1)C
• InChI: InChI=1S/C24H27NO3/c1-4-5-9-19-13-22(26)28-24-16(2)23-20(12-21(19)24)14-25(15-27-23)17(3)18-10-7-6-8-11-18/h6-8,10-13,17H,4-5,9,14-15H2,1-3H3
• InChIKey: KJXQJKVWRMMYAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261655
• PubChem CID: 4366387

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.627901
• LogD (pH = 7.4): 5.790705
• Log P: 5.793231
• Molar Refractivity: 111.5526 cm^3
• Polarizability: 43.26819 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds