2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G786-1495 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 325.39 |
| Molecular Formula: | C17 H15 N3 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8653 |
| logD: | 1.6556 |
| logSw: | -3.4455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.264 |
| InChI Key: | NGQGYRRXGRQGOM-UHFFFAOYSA-N |