3-methyl-4-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide
Chemical Structure Depiction of
3-methyl-4-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide
3-methyl-4-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide
Compound characteristics
| Compound ID: | 8007-4112 |
| Compound Name: | 3-methyl-4-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide |
| Molecular Weight: | 247.21 |
| Molecular Formula: | C10 H9 N5 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nc[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1366 |
| logD: | 0.9197 |
| logSw: | -2.2453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.248 |
| InChI Key: | WHQDNDFEPCHKOL-UHFFFAOYSA-N |