COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362077
Chemical Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-bromophenylbenzenesulfonate
Smiles: N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 497.39
Empirical Formula: C22H13BrN2O3S2

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 6.7
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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