5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-8212 |
| Compound Name: | 5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C15 H15 F N6 O2 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2c2ccc(cc2)F)S)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5726 |
| logD: | 0.3133 |
| logSw: | -1.8417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.745 |
| InChI Key: | UTWNOXOOVFQNDD-UHFFFAOYSA-N |