2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0320 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 463.52 |
| Molecular Formula: | C22 H21 N7 O3 S |
| Smiles: | CCc1ccc(cc1)NC(CSc1nnc(c2c(NC(C)=O)non2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8043 |
| logD: | 3.8039 |
| logSw: | -3.838 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.152 |
| InChI Key: | LMHXOLHSIJPLRH-UHFFFAOYSA-N |