5-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
5-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4850 |
| Compound Name: | 5-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 468.42 |
| Molecular Formula: | C22 H22 Br N5 S |
| Smiles: | CC(c1ccccc1)n1c(c2ccc(Cn3c(C)c(c(C)n3)[Br])cc2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4541 |
| logD: | 4.1097 |
| logSw: | -4.3707 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.692 |
| InChI Key: | CULJIEHYJAZLJF-HNNXBMFYSA-N |