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

• ChemBase ID: 204971
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)CCc1ccccc1
• Canonical SMILES: O=c1oc2c(C)c3OCN(Cc3cc2c(c1C)C)CCc1ccccc1
• InChI: InChI=1S/C22H23NO3/c1-14-15(2)22(24)26-21-16(3)20-18(11-19(14)21)12-23(13-25-20)10-9-17-7-5-4-6-8-17/h4-8,11H,9-10,12-13H2,1-3H3
• InChIKey: ZVHSZXJOKYNMHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260881
• PubChem CID: 1771508

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2784615
• LogD (pH = 7.4): 4.7173715
• Log P: 4.727162
• Molar Refractivity: 102.4429 cm^3
• Polarizability: 39.50447 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds