2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2137 |
| Compound Name: | 2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C24 H26 N6 O2 S |
| Smiles: | Cc1cccc(C)c1n1c(C)cc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.1 |
| logD: | 4.06 |
| logSw: | -4.88 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 149.37 |
| InChI Key: | AKDOTLPLGUBACW-UHFFFAOYSA-N |