2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1622 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.25 |
| logD: | 5.09 |
| logSw: | -6.18 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.36 |
| InChI Key: | VEOHIMXQJUDGLE-UHFFFAOYSA-N |