2-cyano-3-[1-(3-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(3-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C726-0757 |
Compound Name: | 2-cyano-3-[1-(3-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 418.52 |
Molecular Formula: | C22 H22 N6 O S |
Smiles: | Cc1cccc(Cn2cccc2/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)c1 |
Stereo: | ACHIRAL |
logP: | 4.88 |
logD: | 4.85 |
logSw: | -5.63 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 131.27 |
InChI Key: | ACKGNSFQXIWNRQ-UHFFFAOYSA-N |