3-{1-[4-(sec-butyl)phenyl]-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-[4-(sec-butyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{1-[4-(sec-butyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0492 |
| Compound Name: | 3-{1-[4-(sec-butyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C23 H25 N5 O3 S2 |
| Smiles: | CCC(C)c1ccc(cc1)n1c(C)cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.52 |
| logD: | 2.85 |
| logSw: | -5.1 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 203.75 |
| InChI Key: | GEPCFBJMCWWTFJ-AWEZNQCLSA-N |