5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5685 |
| Compound Name: | 5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 378.29 |
| Molecular Formula: | C15 H16 Br N5 S |
| Smiles: | CC(Cn1cc(cn1)[Br])c1nnc(n1c1ccccc1C)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0552 |
| logD: | 0.8481 |
| logSw: | -2.8986 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.934 |
| InChI Key: | LDVWDNGEKIDFRO-NSHDSACASA-N |