4-benzyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-benzyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-7979 |
| Compound Name: | 4-benzyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C16 H18 N6 O2 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2Cc2ccccc2)S)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7495 |
| logD: | 1.325 |
| logSw: | -1.8919 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.002 |
| InChI Key: | OMSNSKWKSRBRAT-UHFFFAOYSA-N |