2-cyano-3-[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4277-0390 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C23 H16 F3 N5 O S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)c(C)n1c1cccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.46 |
| logD: | 1.62 |
| logSw: | -6.3 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 132.67 |
| InChI Key: | OLXNSSWQEWSZHC-UHFFFAOYSA-N |