2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Compound characteristics
| Compound ID: | D291-0223 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide |
| Molecular Weight: | 387.42 |
| Molecular Formula: | C16 H17 N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(NCc2ccccc2)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1039 |
| logD: | 1.0991 |
| logSw: | -2.0046 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.812 |
| InChI Key: | CFQCANYTUYFOTH-UHFFFAOYSA-N |