2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-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-(2,3-dimethylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0050 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C18 H21 N7 O3 S |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCC(Nc1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6676 |
| logD: | 2.6628 |
| logSw: | -2.7038 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.707 |
| InChI Key: | KZVMJZUGXLABGP-UHFFFAOYSA-N |