4-(3-chloro-4-fluorophenyl)-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-chloro-4-fluorophenyl)-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-(3-chloro-4-fluorophenyl)-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-7980 |
| Compound Name: | 4-(3-chloro-4-fluorophenyl)-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C15 H14 Cl F N6 O2 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2c2ccc(c(c2)[Cl])F)S)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1076 |
| logD: | 0.8483 |
| logSw: | -2.956 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.745 |
| InChI Key: | SBCMXNYFDTYMDB-UHFFFAOYSA-N |