4-propyl-9-(2,4,6-trimethylphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 204571
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: N1(Cc2c3c(c(cc(=O)o3)CCC)ccc2OC1)c1c(cc(cc1C)C)C
• Canonical SMILES: CCCc1cc(=O)oc2c1ccc1c2CN(CO1)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C23H25NO3/c1-5-6-17-11-21(25)27-23-18(17)7-8-20-19(23)12-24(13-26-20)22-15(3)9-14(2)10-16(22)4/h7-11H,5-6,12-13H2,1-4H3
• InChIKey: JTPWTQQBDCIUGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propyl-9-(2,4,6-trimethylphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 4-propyl-9-(2,4,6-trimethylphenyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164260481
• PubChem CID: 1769079

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.1255774
• LogD (pH = 7.4): 6.1255774
• Log P: 6.1255774
• Molar Refractivity: 108.5011 cm^3
• Polarizability: 40.87481 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds