3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C370-6098 |
| Compound Name: | 3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 463.92 |
| Molecular Formula: | C18 H14 Cl N5 O4 S2 |
| Smiles: | COc1ccc(cc1[Cl])n1cccc1/C=C(/C#N)C(Nc1nc(ns1)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3 |
| logD: | 0.74 |
| logSw: | -3.83 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 205.85 |
| InChI Key: | WKMBYASFCIXYSM-UHFFFAOYSA-N |