2-cyano-3-[1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0487 |
| Compound Name: | 2-cyano-3-[1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)n1c(C)cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.05 |
| logD: | 2.39 |
| logSw: | -4.82 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.18 |
| InChI Key: | ZLCOXJKSEVMNCT-UHFFFAOYSA-N |