COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK845041
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)cc2c1OCOC2)/c1nc2c(s1)cccc2

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Molecular Weight: 399.27
Empirical Formula: C18H11BrN2O2S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.086
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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