diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-bromophenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-bromophenyl)-1,3-oxazol-4-yl]phosphonate
diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-bromophenyl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
| Compound ID: | D055-0289 |
| Compound Name: | diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-bromophenyl)-1,3-oxazol-4-yl]phosphonate |
| Molecular Weight: | 509.29 |
| Molecular Formula: | C21 H22 Br N2 O6 P |
| Smiles: | CCOP(c1c(NCc2ccc3c(c2)OCO3)oc(c2ccc(cc2)[Br])n1)(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.1925 |
| logD: | 4.1925 |
| logSw: | -4.5625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.065 |
| InChI Key: | FOMQTWGZHWBFBX-UHFFFAOYSA-N |