COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK669974
Chemical Name: N-{3-(benzylsulfanyl)-1-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1-oxopropan-2-yl}-3,5-dinitrobenzamide(non-preferredname)
Smiles: O=C(C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CSCc1ccccc1)N/N=C/c1ccc(cc1)Br

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Molecular Weight: 586.42
Empirical Formula: C24H20BrN5O6S

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 6.73
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 187
Number of rings: 3

     

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