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

• ChemBase ID: 207649
• Molecular Formular: C24H27NO3
• Molecular Mass: 377.47608
• Monoisotopic Mass: 377.19909373
• SMILES: c12c(c(cc(=O)o2)CCCC)cc2c(c1C)OCN(C2)CCc1ccccc1
• Canonical SMILES: CCCCc1cc(=O)oc2c1cc1CN(CCc3ccccc3)COc1c2C
• InChI: InChI=1S/C24H27NO3/c1-3-4-10-19-14-22(26)28-24-17(2)23-20(13-21(19)24)15-25(16-27-23)12-11-18-8-6-5-7-9-18/h5-9,13-14H,3-4,10-12,15-16H2,1-2H3
• InChIKey: MJKICFAYXUPMCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263559
• PubChem CID: 1780463

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2156305
• LogD (pH = 7.4): 5.655493
• Log P: 5.6653175
• Molar Refractivity: 111.8888 cm^3
• Polarizability: 43.19298 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds