2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | Y501-8029 |
| Compound Name: | 2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 443.33 |
| Molecular Formula: | C17 H17 Cl2 F N6 O S |
| Smiles: | CCn1c(c2c(c(C)nn2C)[Cl])nnc1SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.326 |
| logD: | 3.3179 |
| logSw: | -3.9302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.984 |
| InChI Key: | CSJOUHJFCZGPKL-UHFFFAOYSA-N |