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

• ChemBase ID: 204755
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)OCN(C2)C(c1ccccc1)C
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)C(c1ccccc1)C
• InChI: InChI=1S/C23H25NO3/c1-4-8-18-12-21(25)27-23-15(2)22-19(11-20(18)23)13-24(14-26-22)16(3)17-9-6-5-7-10-17/h5-7,9-12,16H,4,8,13-14H2,1-3H3
• InChIKey: XCGDCYSKRQYRDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260665
• PubChem CID: 4326834

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1833305
• LogD (pH = 7.4): 5.3461366
• Log P: 5.3486624
• Molar Refractivity: 106.9516 cm^3
• Polarizability: 41.42375 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