2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1211 |
| Compound Name: | 2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C20 H25 N5 O3 S2 |
| Smiles: | CCN(CC)c1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(CC(C)C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.42 |
| logD: | 2.07 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.51 |
| InChI Key: | PZOBQIOCOHMDQO-UHFFFAOYSA-N |