4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)phenyl 4-methylbenzoate

Chemical Structure Depiction of
4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)phenyl 4-methylbenzoate
Available: 68 mg
Amount:
mg
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Compound characteristics

Compound ID: C726-0526
Compound Name: 4-(2-cyano-3-oxo-3-{[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)phenyl 4-methylbenzoate
Molecular Weight: 459.53
Molecular Formula: C24 H21 N5 O3 S
Smiles: Cc1ccc(cc1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)cc1
Stereo: ACHIRAL
logP: 5.05
logD: 4.89
logSw: -6.37
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 176.13
InChI Key: ULOPGVFGONHXAX-UHFFFAOYSA-N
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