3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M027-0593 |
| Compound Name: | 3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(CCc1nc(C(NCCc2ccc(cc2)SC)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.173 |
| logD: | 3.173 |
| logSw: | -3.5382 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.197 |
| InChI Key: | JQCSPPRTADSOCH-UHFFFAOYSA-N |