COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004777
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/c1nc2c(s1)cccc2

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Molecular Weight: 351.34
Empirical Formula: C17H9N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.87
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 129
Number of rings: 4

     

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