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

• ChemBase ID: 205335
• Molecular Formular: C22H23NO4
• Molecular Mass: 365.42232
• Monoisotopic Mass: 365.16270822
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)Cc1c(OC)cccc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccccc1OC
• InChI: InChI=1S/C22H23NO4/c1-4-15-10-20(24)27-22-14(2)21-17(9-18(15)22)12-23(13-26-21)11-16-7-5-6-8-19(16)25-3/h5-10H,4,11-13H2,1-3H3
• InChIKey: XQPLTWHGJOZJJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261245
• PubChem CID: 1772743

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2905526
• LogD (pH = 7.4): 4.32933
• Log P: 4.329848
• Molar Refractivity: 104.395 cm^3
• Polarizability: 40.247456 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds