4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl benzoate
4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl benzoate
Compound characteristics
Compound ID: | C726-1354 |
Compound Name: | 4-{2-cyano-3-oxo-3-[(5-piperidino-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl benzoate |
Molecular Weight: | 489.55 |
Molecular Formula: | C25 H23 N5 O4 S |
Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)ccc1OC(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.78 |
logD: | 4.63 |
logSw: | -5.9 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 186.54 |
InChI Key: | ZRKPZEWLPTUNPI-UHFFFAOYSA-N |