2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(pyridin-4-yl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(pyridin-4-yl)methylidene]acetohydrazide
2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(pyridin-4-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y501-9172 |
| Compound Name: | 2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(pyridin-4-yl)methylidene]acetohydrazide |
| Molecular Weight: | 438.43 |
| Molecular Formula: | C17 H17 F3 N8 O S |
| Smiles: | CCn1c(c2cc(C(F)(F)F)n(C)n2)nnc1SCC(N/N=C/c1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6202 |
| logD: | 1.6196 |
| logSw: | -2.1341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.284 |
| InChI Key: | DSIGYUQMLBCMPK-UHFFFAOYSA-N |