COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056249
Chemical Name: 3-(4-tert-butylphenyl)-4-methyl-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4H-1,2,4-triazole
Smiles: Cn1c(nnc1c1ccc(cc1)C(C)(C)C)Sc1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 436.46
Empirical Formula: C20H19F3N4O2S

Physical State: Dry powder
Available Amount: 428 mg

Lipinsky:
logP: 7.307
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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