N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide
Compound characteristics
| Compound ID: | 8005-3045 |
| Compound Name: | N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide |
| Molecular Weight: | 306.27 |
| Molecular Formula: | C9 H9 F3 N6 O S |
| Smiles: | Cc1cc(C)n(c2nnc(n2NC(C(F)(F)F)=O)S)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.4284 |
| logD: | -1.1051 |
| logSw: | -1.4162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.02 |
| InChI Key: | LSJUHZJHPOJGEE-UHFFFAOYSA-N |