5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5068 |
| Compound Name: | 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 382.28 |
| Molecular Formula: | C13 H16 Br N7 S |
| Smiles: | CCn1c(C)c(cn1)n1c(c2c(c(C)n(C)n2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.0647 |
| logD: | -0.1061 |
| logSw: | -0.7629 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.115 |
| InChI Key: | QLZZCMRVNJTUOS-UHFFFAOYSA-N |