2-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)hydrazine-1-carbothioamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)hydrazine-1-carbothioamide--hydrogen chloride (1/1)
2-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)hydrazine-1-carbothioamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y502-5170 |
| Compound Name: | 2-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)hydrazine-1-carbothioamide--hydrogen chloride (1/1) |
| Molecular Weight: | 504.76 |
| Molecular Formula: | C14 H17 Br F3 N7 O S |
| Salt: | HCl |
| Smiles: | CCn1c(C)c(cn1)NC(NNC(Cn1c(C)c(c(C(F)(F)F)n1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.1006 |
| logD: | 1.0862 |
| logSw: | -2.1226 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.927 |
| InChI Key: | ZYLQGABCGGTUJB-UHFFFAOYSA-N |