3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C370-6108 |
| Compound Name: | 3-[1-(5-chloro-2-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(cc1n1cccc1/C=C(/C#N)C(Nc1nc(ns1)S(C)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.01 |
| logD: | 0.75 |
| logSw: | -3.92 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 204.06 |
| InChI Key: | XYZYMJMMRWFSCG-UHFFFAOYSA-N |