ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y503-2115 |
| Compound Name: | ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 363.36 |
| Molecular Formula: | C13 H16 F3 N5 O2 S |
| Smiles: | CCn1c(c2cc(C(F)(F)F)n(C)n2)nnc1SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.1651 |
| logD: | 2.1586 |
| logSw: | -2.2979 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.912 |
| InChI Key: | UFBWAGIHXIFWDI-UHFFFAOYSA-N |