2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]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-[2-(methylsulfanyl)phenyl]acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D291-0128 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C17 H19 N7 O3 S2 |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCC(Nc1ccccc1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0926 |
| logD: | 2.0879 |
| logSw: | -2.6063 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.707 |
| InChI Key: | SSSBPJNVRQLNOU-UHFFFAOYSA-N |