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

• ChemBase ID: 223244
• Molecular Formular: C22H23NO6
• Molecular Mass: 397.42112
• Monoisotopic Mass: 397.15253746
• SMILES: c12c3c(OCN(C3)CCOC)ccc1c(=O)c(c(o2)C)Oc1cc(OC)ccc1
• Canonical SMILES: COCCN1COc2c(C1)c1oc(C)c(c(=O)c1cc2)Oc1cccc(c1)OC
• InChI: InChI=1S/C22H23NO6/c1-14-21(29-16-6-4-5-15(11-16)26-3)20(24)17-7-8-19-18(22(17)28-14)12-23(13-27-19)9-10-25-2/h4-8,11H,9-10,12-13H2,1-3H3
• InChIKey: XHYVCQYUDXHPKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279154
• PubChem CID: 25282460

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.942656
• LogD (pH = 7.4): 2.9461908
• Log P: 2.9462361
• Molar Refractivity: 108.6876 cm^3
• Polarizability: 41.618996 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