diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]phosphonate
diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
Compound ID: | D055-0244 |
Compound Name: | diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]phosphonate |
Molecular Weight: | 460.42 |
Molecular Formula: | C22 H25 N2 O7 P |
Smiles: | CCOP(c1c(NCc2ccc3c(c2)OCO3)oc(c2ccc(cc2)OC)n1)(=O)OCC |
Stereo: | ACHIRAL |
logP: | 3.3409 |
logD: | 3.3409 |
logSw: | -3.4997 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.609 |
InChI Key: | RNMUWZMXCQZHRE-UHFFFAOYSA-N |