1,2-diphenyl-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1,2-diphenyl-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1,2-diphenyl-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y020-0294 |
| Compound Name: | 1,2-diphenyl-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 295.36 |
| Molecular Formula: | C16 H13 N3 O S |
| Smiles: | c1ccc(cc1)C(C(c1ccccc1)=O)Sc1nnc[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8381 |
| logD: | 2.4478 |
| logSw: | -3.2691 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.859 |
| InChI Key: | QYSLYQQIXGIZCS-OAHLLOKOSA-N |