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
Available: 77 mg
Amount:
mg
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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
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