COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK864490
Chemical Name: (5E)-5-benzylidene-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccccc1)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 394.45
Empirical Formula: C20H18N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.079
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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