2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
Compound characteristics
| Compound ID: | G731-0262 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide |
| Molecular Weight: | 310.8 |
| Molecular Formula: | C13 H15 Cl N4 O S |
| Smiles: | CCCNC(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8777 |
| logD: | 0.6859 |
| logSw: | -3.084 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.058 |
| InChI Key: | AEDRXEWOUFGVDC-UHFFFAOYSA-N |