2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1096 |
| Compound Name: | 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 406.4 |
| Molecular Formula: | C15 H18 F4 N6 O S |
| Smiles: | CCn1c(Cn2c(cc(C(F)F)n2)C(F)F)nnc1SCC(NCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5707 |
| logD: | 0.5705 |
| logSw: | -1.8918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.756 |
| InChI Key: | ZCUTVTSDUYQOBW-UHFFFAOYSA-N |