3-(2,4-dimethoxyphenyl)-9-(2-methoxyethyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 223641
• Molecular Formular: C22H23NO6
• Molecular Mass: 397.42112
• Monoisotopic Mass: 397.15253746
• SMILES: c1(c(=O)oc2c3c(OCN(C3)CCOC)ccc2c1)c1c(cc(cc1)OC)OC
• Canonical SMILES: COCCN1COc2c(C1)c1oc(=O)c(cc1cc2)c1ccc(cc1OC)OC
• InChI: InChI=1S/C22H23NO6/c1-25-9-8-23-12-18-19(28-13-23)7-4-14-10-17(22(24)29-21(14)18)16-6-5-15(26-2)11-20(16)27-3/h4-7,10-11H,8-9,12-13H2,1-3H3
• InChIKey: PCRHTGUDJGVBCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279551
• PubChem CID: 25282310

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.764851
• LogD (pH = 7.4): 2.8108122
• Log P: 2.811431
• Molar Refractivity: 107.817 cm^3
• Polarizability: 41.77487 Å^3
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds