COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823688
Chemical Name: 4-{(E)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl3-nitrobenzoate
Smiles: CCC(N1C(=S)S/C(=C/c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C1=O)C

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Molecular Weight: 442.52
Empirical Formula: C21H18N2O5S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.561
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 149
Number of rings: 3

     

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