COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590998
Chemical Name: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-nitrobenzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)C1

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Molecular Weight: 453.31
Empirical Formula: C18H17BrN2O5S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 1.436
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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