COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK120518
Chemical Name: 3-[(3-bromobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2cccc(c2)Br)nnc1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 431.31
Empirical Formula: C18H15BrN4O2S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 6.202
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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