COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK005017
Chemical Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 474.58
Empirical Formula: C26H26N4O3S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 8.164
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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