dimethyl (2-[(4-nitrophenyl)methyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazol-4-yl)phosphonate
Chemical Structure Depiction of
dimethyl (2-[(4-nitrophenyl)methyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazol-4-yl)phosphonate
dimethyl (2-[(4-nitrophenyl)methyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazol-4-yl)phosphonate
Compound characteristics
| Compound ID: | D142-0047 |
| Compound Name: | dimethyl (2-[(4-nitrophenyl)methyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazol-4-yl)phosphonate |
| Molecular Weight: | 418.34 |
| Molecular Formula: | C18 H19 N4 O6 P |
| Smiles: | COP(c1c(NCc2cccnc2)oc(Cc2ccc(cc2)[N+]([O-])=O)n1)(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2727 |
| logD: | 1.258 |
| logSw: | -1.1664 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.74 |
| InChI Key: | NLSKSXUAGFMZHO-UHFFFAOYSA-N |