N-[3-(methylsulfanyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0095 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C17 H16 N4 O S2 |
| Smiles: | CSc1cccc(c1)NC(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2166 |
| logD: | 2.0249 |
| logSw: | -3.5313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.623 |
| InChI Key: | NSCOFYZAWJWWHT-UHFFFAOYSA-N |