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

• ChemBase ID: 204688
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)OCN(C2)CCc1ccccc1
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)CCc1ccccc1
• InChI: InChI=1S/C23H25NO3/c1-3-7-18-13-21(25)27-23-16(2)22-19(12-20(18)23)14-24(15-26-22)11-10-17-8-5-4-6-9-17/h4-6,8-9,12-13H,3,7,10-11,14-15H2,1-2H3
• InChIKey: JMPFUQBRJKNDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260598
• PubChem CID: 1769414

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7710576
• LogD (pH = 7.4): 5.210924
• Log P: 5.220749
• Molar Refractivity: 107.2878 cm^3
• Polarizability: 41.348663 Å^3
• Polar Surface Area: 38.77 Å^2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds