2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Compound characteristics
| Compound ID: | 3257-3009 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate |
| Molecular Weight: | 306.23 |
| Molecular Formula: | C12 H10 N4 O6 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(c1c(N)non1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7108 |
| logD: | 1.7108 |
| logSw: | -2.1285 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.509 |
| InChI Key: | QOQKNPGTPCUZHW-UHFFFAOYSA-N |