COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL113862
Chemical Name: N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-[(4-nitrobenzyl)sulfanyl]acetohydrazide
Smiles: O=C(N/N=C/c1cc2OCOc2cc1Br)CSCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 452.29
Empirical Formula: C17H14BrN3O5S

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 4.606
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 3

     

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