2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0053 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C18 H21 N7 O3 S |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCC(Nc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7301 |
| logD: | 2.7253 |
| logSw: | -2.8969 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.405 |
| InChI Key: | HPTSJORRWLLLKK-UHFFFAOYSA-N |