1-phenyl-2-{[5-(4-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-phenyl-2-{[5-(4-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-phenyl-2-{[5-(4-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7919-0034 |
| Compound Name: | 1-phenyl-2-{[5-(4-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | CCCOc1ccc(cc1)c1nnc([nH]1)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8422 |
| logD: | 2.6326 |
| logSw: | -3.9072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.138 |
| InChI Key: | XRNPJUONZBRYJM-UHFFFAOYSA-N |