2-cyano-3-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | C726-1567 |
Compound Name: | 2-cyano-3-[1-(2-fluorobenzyl)-1H-pyrrol-2-yl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 436.51 |
Molecular Formula: | C22 H21 F N6 O S |
Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2cccn2Cc2ccccc2F)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 4.85 |
logD: | 4.81 |
logSw: | -5.57 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 133.23 |
InChI Key: | QPXDITDWDJSNOE-UHFFFAOYSA-N |