N-{4-[5-(butylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
Chemical Structure Depiction of
N-{4-[5-(butylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
N-{4-[5-(butylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
Compound characteristics
| Compound ID: | D291-0022 |
| Compound Name: | N-{4-[5-(butylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide |
| Molecular Weight: | 310.38 |
| Molecular Formula: | C12 H18 N6 O2 S |
| Smiles: | CCCCSc1nnc(c2c(NC(C)=O)non2)n1CC |
| Stereo: | ACHIRAL |
| logP: | 2.5729 |
| logD: | 2.5682 |
| logSw: | -2.6134 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.527 |
| InChI Key: | VKHPWAJVQBORTB-UHFFFAOYSA-N |