2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1041 |
| Compound Name: | 2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 432.55 |
| Molecular Formula: | C23 H24 N6 O S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)c(C)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.45 |
| logD: | 4.41 |
| logSw: | -5.19 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.64 |
| InChI Key: | UXGFEQCJWTVFAX-UHFFFAOYSA-N |