2-cyano-3-[1-(2-fluorobenzyl)-1H-indol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-fluorobenzyl)-1H-indol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2-fluorobenzyl)-1H-indol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C356-0115 |
Compound Name: | 2-cyano-3-[1-(2-fluorobenzyl)-1H-indol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 481.53 |
Molecular Formula: | C22 H16 F N5 O3 S2 |
Smiles: | CS(c1nnc(NC(C(=C/c2cn(Cc3ccccc3F)c3ccccc23)\C#N)=O)s1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.79 |
logD: | 1 |
logSw: | -4.78 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 204.15 |
InChI Key: | CCTGYDWKHWXOQF-UHFFFAOYSA-N |