dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(4-nitrophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
Chemical Structure Depiction of
dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(4-nitrophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(4-nitrophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
Compound characteristics
| Compound ID: | D142-0053 |
| Compound Name: | dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(4-nitrophenyl)methyl]-1,3-oxazol-4-yl)phosphonate |
| Molecular Weight: | 431.38 |
| Molecular Formula: | C20 H22 N3 O6 P |
| Smiles: | Cc1ccc(CNc2c(nc(Cc3ccc(cc3)[N+]([O-])=O)o2)P(=O)(OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9238 |
| logD: | 2.9238 |
| logSw: | -3.3902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.222 |
| InChI Key: | VMMWINCNBMJCBA-UHFFFAOYSA-N |