2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 7919-0033 |
| Compound Name: | 2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | CCOc1ccc(cc1)c1nnc([nH]1)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2519 |
| logD: | 2.0422 |
| logSw: | -3.432 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.844 |
| InChI Key: | OLZUPXDHOSROPJ-UHFFFAOYSA-N |