3-[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2336 |
| Compound Name: | 3-[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C23 H23 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])n1c(C)cc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.64 |
| logD: | 4.6 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.42 |
| InChI Key: | DMRJRBJWHBTWIF-UHFFFAOYSA-N |