1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-3-phenylprop-2-en-1-one
Chemical Structure Depiction of
1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-3-phenylprop-2-en-1-one
1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-3-phenylprop-2-en-1-one
Compound characteristics
| Compound ID: | 2280-7560 |
| Compound Name: | 1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-3-phenylprop-2-en-1-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C19 H15 N3 O2 S |
| Smiles: | C(C(c1ccccc1)=O)Sc1nncn1C(/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7325 |
| logD: | 2.7325 |
| logSw: | -3.0462 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.279 |
| InChI Key: | IANKFCDVEBQKBF-UHFFFAOYSA-N |