2-cyano-3-[4-(diethylamino)phenyl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(diethylamino)phenyl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[4-(diethylamino)phenyl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0048 |
| Compound Name: | 2-cyano-3-[4-(diethylamino)phenyl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C20 H25 N5 O S |
| Smiles: | CCN(CC)c1ccc(/C=C(/C#N)C(Nc2nnc(CC(C)C)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9 |
| logD: | 2.97 |
| logSw: | -5.52 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.81 |
| InChI Key: | BUSSBHZMRLKPEW-UHFFFAOYSA-N |