5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4894 |
| Compound Name: | 5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 392.32 |
| Molecular Formula: | C16 H18 Br N5 S |
| Smiles: | CCc1ccccc1n1c(C(C)Cn2cc(cn2)[Br])nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4262 |
| logD: | 1.219 |
| logSw: | -3.3096 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.934 |
| InChI Key: | PWJPKLYYHIGWEW-NSHDSACASA-N |