dimethyl [5-{[(4-methylphenyl)methyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
dimethyl [5-{[(4-methylphenyl)methyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
dimethyl [5-{[(4-methylphenyl)methyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
| Compound ID: | D055-0172 |
| Compound Name: | dimethyl [5-{[(4-methylphenyl)methyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate |
| Molecular Weight: | 417.36 |
| Molecular Formula: | C19 H20 N3 O6 P |
| Smiles: | Cc1ccc(CNc2c(nc(c3cccc(c3)[N+]([O-])=O)o2)P(=O)(OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7959 |
| logD: | 2.7959 |
| logSw: | -3.3269 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.557 |
| InChI Key: | PCXHVAGLMAKNQQ-UHFFFAOYSA-N |