N-(2-chlorophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0263 |
| Compound Name: | N-(2-chlorophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C17 H16 Cl N5 O S |
| Smiles: | CCn1c(c2cccnc2)nnc1SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3996 |
| logD: | 2.3828 |
| logSw: | -3.1485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.935 |
| InChI Key: | WTKRANAFALRBCF-UHFFFAOYSA-N |