COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK165681
Chemical Name: (2E)-N-benzyl-2-{5-bromo-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}hydrazinecarbothioamide
Smiles: S=C(NCc1ccccc1)N/N=C/c1cc(Br)ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 553.36
Empirical Formula: C22H16BrF3N4O3S

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 6.183
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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