5-[5-(3-bromophenyl)-1H-pyrazol-3-yl]-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[5-(3-bromophenyl)-1H-pyrazol-3-yl]-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
5-[5-(3-bromophenyl)-1H-pyrazol-3-yl]-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8648 |
| Compound Name: | 5-[5-(3-bromophenyl)-1H-pyrazol-3-yl]-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 426.34 |
| Molecular Formula: | C19 H16 Br N5 S |
| Smiles: | CC(c1ccccc1)n1c(c2cc(c3cccc(c3)[Br])[nH]n2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9637 |
| logD: | 4.8696 |
| logSw: | -4.6371 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.9 |
| InChI Key: | CLSGMLWIIDVSQP-LBPRGKRZSA-N |