3-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y502-3848 |
| Compound Name: | 3-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 465.37 |
| Molecular Formula: | C18 H21 Br N6 O2 S |
| Smiles: | CCn1c(CCn2c(C)c(c(C)n2)[Br])nnc1SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0519 |
| logD: | 3.0513 |
| logSw: | -3.3261 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.855 |
| InChI Key: | WZWJEZNWYSYKQJ-UHFFFAOYSA-N |