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

• ChemBase ID: 223198
• Molecular Formular: C21H21NO6
• Molecular Mass: 383.39454
• Monoisotopic Mass: 383.1368874
• SMILES: c12c3c(OCN(C3)CCOC)ccc1c(=O)c(co2)Oc1c(OC)cccc1
• Canonical SMILES: COCCN1COc2c(C1)c1occ(c(=O)c1cc2)Oc1ccccc1OC
• InChI: InChI=1S/C21H21NO6/c1-24-10-9-22-11-15-16(27-13-22)8-7-14-20(23)19(12-26-21(14)15)28-18-6-4-3-5-17(18)25-2/h3-8,12H,9-11,13H2,1-2H3
• InChIKey: QTPFPWJNBPFNTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279108
• PubChem CID: 25282456

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.7402117
• LogD (pH = 7.4): 2.7441134
• Log P: 2.7441635
• Molar Refractivity: 102.8685 cm^3
• Polarizability: 39.78417 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