3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0475 |
| Compound Name: | 3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C19 H15 Cl F N5 O3 S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)c(C)n1c1ccc(c(c1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.15 |
| logD: | 1.49 |
| logSw: | -3.98 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.95 |
| InChI Key: | NRSYDQPBVRTJNR-UHFFFAOYSA-N |