2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G731-0258 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 344.82 |
| Molecular Formula: | C16 H13 Cl N4 O S |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nnc(c2ccccc2[Cl])[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.9376 |
| logD: | 1.7459 |
| logSw: | -3.8523 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.623 |
| InChI Key: | QVABBUKLICCSAX-UHFFFAOYSA-N |