2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | D291-0350 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C18 H21 N7 O3 S |
| Smiles: | CCN(CC)C(CSc1nnc(c2c(NC(C)=O)non2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0171 |
| logD: | 2.0166 |
| logSw: | -2.3664 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.679 |
| InChI Key: | NPPHLRKQDIEIHB-UHFFFAOYSA-N |