2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0657 |
| Compound Name: | 2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C21 H21 N5 O S2 |
| Smiles: | Cc1cccc(C)c1n1c(C)cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.94 |
| logD: | 4.7 |
| logSw: | -5.82 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 161.43 |
| InChI Key: | GTMXRQKJFLHQIC-UHFFFAOYSA-N |