2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
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-(prop-2-en-1-yl)acetamide
2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1100 |
| Compound Name: | 2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C14 H17 F3 N6 O S |
| Smiles: | CCn1c(c2cc(C(F)(F)F)n(C)n2)nnc1SCC(NCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3698 |
| logD: | 1.3693 |
| logSw: | -2.1079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.066 |
| InChI Key: | LQIRCRVTYDGFHH-UHFFFAOYSA-N |