3-[1-(3-chloro-4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2346 |
| Compound Name: | 3-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 486.95 |
| Molecular Formula: | C22 H20 Cl F N6 O2 S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)c(C)n1c1ccc(c(c1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.98 |
| logD: | 3.94 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 157.25 |
| InChI Key: | CBZMVHKOYVOZMP-UHFFFAOYSA-N |