COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508198
Chemical Name: 3-(3-bromophenyl)-5-[(2-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1c1cccc(c1)Br

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Molecular Weight: 431.31
Empirical Formula: C18H15BrN4O2S

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 6.172
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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