COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573364
Chemical Name: N-(3-bromobenzyl)-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C1CCS(=O)(=O)C1

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Molecular Weight: 487.76
Empirical Formula: C18H16BrClN2O5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 2.406
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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