2-cyano-3-{1-[3-(4-methylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[3-(4-methylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{1-[3-(4-methylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | C726-1583 |
Compound Name: | 2-cyano-3-{1-[3-(4-methylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 476.6 |
Molecular Formula: | C25 H28 N6 O2 S |
Smiles: | Cc1ccc(cc1)OCCCn1cccc1/C=C(/C#N)C(Nc1nnc(N2CCCCC2)s1)=O |
Stereo: | ACHIRAL |
logP: | 5.51 |
logD: | 5.48 |
logSw: | -6.17 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 147.82 |
InChI Key: | ADZCAPDQHZEAJK-UHFFFAOYSA-N |