N-(4-{5-[(cyanomethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
Chemical Structure Depiction of
N-(4-{5-[(cyanomethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
N-(4-{5-[(cyanomethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
Compound characteristics
| Compound ID: | 8018-5675 |
| Compound Name: | N-(4-{5-[(cyanomethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide |
| Molecular Weight: | 341.35 |
| Molecular Formula: | C14 H11 N7 O2 S |
| Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SCC#N)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4622 |
| logD: | 1.4617 |
| logSw: | -2.1841 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.766 |
| InChI Key: | NPQPEVXMHYQTHQ-UHFFFAOYSA-N |