5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y501-5984 |
| Compound Name: | 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1) |
| Molecular Weight: | 428.78 |
| Molecular Formula: | C16 H18 Br N5 S |
| Salt: | HCl |
| Smiles: | Cc1cccc(c1)n1c(CCn2c(C)c(c(C)n2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.7564 |
| logD: | 1.4971 |
| logSw: | -2.6317 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.966 |
| InChI Key: | JPDGEIRQGKOCGH-UHFFFAOYSA-N |