2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-cyanoethyl)-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-cyanoethyl)-N-phenylacetamide
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-cyanoethyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | D353-0714 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-cyanoethyl)-N-phenylacetamide |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C20 H16 N4 O4 S |
| Smiles: | C(CN(C(CSc1nnc(c2ccc3c(c2)OCO3)o1)=O)c1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.5602 |
| logD: | 2.5602 |
| logSw: | -2.941 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.017 |
| InChI Key: | PBGHKOPADUWDLK-UHFFFAOYSA-N |