9-(3-methoxypropyl)-4-methyl-3-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 223917
• Molecular Formular: C22H23NO4
• Molecular Mass: 365.42232
• Monoisotopic Mass: 365.16270822
• SMILES: c12oc(=O)c(c(c2ccc2c1CN(CO2)CCCOC)C)c1ccccc1
• Canonical SMILES: COCCCN1COc2c(C1)c1oc(=O)c(c(c1cc2)C)c1ccccc1
• InChI: InChI=1S/C22H23NO4/c1-15-17-9-10-19-18(13-23(14-26-19)11-6-12-25-2)21(17)27-22(24)20(15)16-7-4-3-5-8-16/h3-5,7-10H,6,11-14H2,1-2H3
• InChIKey: YCPLZTGLLLWTLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279827
• PubChem CID: 25282326

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.4839656
• Log P: 3.4861279
• Molar Refractivity: 104.038 cm^3
• Polarizability: 40.405857 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.341118

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds