2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-cyclohexylacetamide
Chemical Structure Depiction of
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-cyclohexylacetamide
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | 8014-9927 |
| Compound Name: | 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-cyclohexylacetamide |
| Molecular Weight: | 332.15 |
| Molecular Formula: | C10 H14 Br N5 O3 |
| Smiles: | C1CCC(CC1)NC(Cn1c(nc(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5345 |
| logD: | 1.5345 |
| logSw: | -2.0327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.13 |
| InChI Key: | HFBKBZJHSBMMCB-UHFFFAOYSA-N |