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

Chemical Structure Depiction of
2-bromo-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl benzoate
Available: 186 mg
Amount:
mg
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Compound characteristics

Compound ID: C356-0373
Compound Name: 2-bromo-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl benzoate
Molecular Weight: 533.38
Molecular Formula: C20 H13 Br N4 O5 S2
Smiles: CS(c1nnc(NC(C(=C/c2ccc(c(c2)[Br])OC(c2ccccc2)=O)\C#N)=O)s1)(=O)=O
Stereo: ACHIRAL
logP: 3.42
logD: 1.07
logSw: -3.52
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 1
Polar surface area: 238.12
InChI Key: RKSVSBBQAYTKPB-UHFFFAOYSA-N
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