2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3773-0183 |
| Compound Name: | 2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C21 H27 N5 O S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2ccc(cc2)N(C)C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.85 |
| logD: | 3.92 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.39 |
| InChI Key: | NBAUTKYZNYQZFJ-UHFFFAOYSA-N |