3-[2-(benzenesulfonyl)ethyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[2-(benzenesulfonyl)ethyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
3-[2-(benzenesulfonyl)ethyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M027-0265 |
| Compound Name: | 3-[2-(benzenesulfonyl)ethyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CN(C)c1ccc(CNC(c2nc(CCS(c3ccccc3)(=O)=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0018 |
| logD: | 1.9864 |
| logSw: | -2.5793 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.161 |
| InChI Key: | GLQGUNCFZQSKRA-UHFFFAOYSA-N |