4-methyl-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
4-methyl-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
Compound characteristics
| Compound ID: | Y031-8819 |
| Compound Name: | 4-methyl-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide |
| Molecular Weight: | 247.21 |
| Molecular Formula: | C10 H9 N5 O3 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nn1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5595 |
| logD: | 0.5595 |
| logSw: | -2.1118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.273 |
| InChI Key: | ZISSAVKYRJUPOX-UHFFFAOYSA-N |