5-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1,2,4-oxadiazole-3-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1,2,4-oxadiazole-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1,2,4-oxadiazole-3-carboxamide
Compound characteristics
| Compound ID: | S341-0583 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1,2,4-oxadiazole-3-carboxamide |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C18 H15 N3 O4 S |
| Smiles: | CSc1ccc(CNC(c2nc(c3ccc4c(c3)OCO4)on2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6328 |
| logD: | 3.6328 |
| logSw: | -3.9924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.445 |
| InChI Key: | VSIGJJDLNQTOIV-UHFFFAOYSA-N |