3-[1-(5-chloro-2,4-dimethoxyphenyl)-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-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0474 |
| Compound Name: | 3-[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 522 |
| Molecular Formula: | C21 H20 Cl N5 O5 S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)c(C)n1c1cc(c(cc1OC)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.24 |
| logD: | 1.58 |
| logSw: | -4.04 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.43 |
| InChI Key: | VGZANVWYJFRVAY-UHFFFAOYSA-N |