3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 3797-0281 |
Compound Name: | 3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 461.97 |
Molecular Formula: | C24 H20 Cl N5 O S |
Smiles: | CCCc1nnc(NC(C(=C/c2cn(Cc3ccccc3[Cl])c3ccccc23)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.94 |
logD: | 3.58 |
logSw: | -6.74 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 136.38 |
InChI Key: | WDYAVGGVARTVQU-UHFFFAOYSA-N |