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

• ChemBase ID: 206760
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)OCN(C2)Cc1ccc(cc1)C
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(cc1)C
• InChI: InChI=1S/C23H25NO3/c1-4-5-18-11-21(25)27-23-16(3)22-19(10-20(18)23)13-24(14-26-22)12-17-8-6-15(2)7-9-17/h6-11H,4-5,12-14H2,1-3H3
• InChIKey: VWGQSUHYYXGTCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262670
• PubChem CID: 1777121

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.3426614
• LogD (pH = 7.4): 5.4440503
• Log P: 5.445509
• Molar Refractivity: 107.574 cm^3
• Polarizability: 41.34553 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds