5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5069 |
| Compound Name: | 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 396.31 |
| Molecular Formula: | C14 H18 Br N7 S |
| Smiles: | CCn1c(C)c(cn1)n1c(Cn2c(C)c(c(C)n2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 0.7752 |
| logD: | -0.7812 |
| logSw: | -0.4986 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.611 |
| InChI Key: | NPCDRONCWOWTKA-UHFFFAOYSA-N |