2-cyano-3-[1-(3-methoxyphenyl)-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-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0486 |
| Compound Name: | 2-cyano-3-[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C20 H19 N5 O4 S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c(C)n1c1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.85 |
| logD: | 1.19 |
| logSw: | -3.94 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.56 |
| InChI Key: | NJCBQQIVGBBHLV-UHFFFAOYSA-N |