diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
| Compound ID: | D142-0114 |
| Compound Name: | diethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate |
| Molecular Weight: | 475.39 |
| Molecular Formula: | C21 H22 N3 O8 P |
| Smiles: | CCOP(c1c(NCc2ccc3c(c2)OCO3)oc(c2ccc(cc2)[N+]([O-])=O)n1)(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.2842 |
| logD: | 3.2842 |
| logSw: | -3.5953 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.446 |
| InChI Key: | XMDGTVSJAABZGX-UHFFFAOYSA-N |