3-(4-bromo-1H-pyrazol-1-yl)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-2-methylpropanamide
Chemical Structure Depiction of
3-(4-bromo-1H-pyrazol-1-yl)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-2-methylpropanamide
3-(4-bromo-1H-pyrazol-1-yl)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-2-methylpropanamide
Compound characteristics
| Compound ID: | Y508-9978 |
| Compound Name: | 3-(4-bromo-1H-pyrazol-1-yl)-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-2-methylpropanamide |
| Molecular Weight: | 409.25 |
| Molecular Formula: | C12 H15 Br F2 N6 O S |
| Smiles: | CCSc1nnc(C(F)F)n1NC(C(C)Cn1cc(cn1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.534 |
| logD: | 1.534 |
| logSw: | -2.016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.64 |
| InChI Key: | CVGRBWNDHDKPLM-ZETCQYMHSA-N |