diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazol-4-yl]phosphonate
diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
Compound ID: | D055-0229 |
Compound Name: | diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazol-4-yl]phosphonate |
Molecular Weight: | 444.42 |
Molecular Formula: | C22 H25 N2 O6 P |
Smiles: | CCOP(c1c(NCc2ccc3c(c2)OCO3)oc(c2ccc(C)cc2)n1)(=O)OCC |
Stereo: | ACHIRAL |
logP: | 3.782 |
logD: | 3.782 |
logSw: | -3.9776 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.065 |
InChI Key: | YDQOYUSBECVLTL-UHFFFAOYSA-N |