ethyl 4-{[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]amino}benzoate
ethyl 4-{[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8012-7391 |
| Compound Name: | ethyl 4-{[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]amino}benzoate |
| Molecular Weight: | 291.26 |
| Molecular Formula: | C12 H13 N5 O4 |
| Smiles: | CCOC(c1ccc(cc1)NCn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0302 |
| logD: | 2.0302 |
| logSw: | -2.4547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.548 |
| InChI Key: | WLHWAROPPKVONV-UHFFFAOYSA-N |