COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057465
Chemical Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1ccc(c(c1)Cl)Cl

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Molecular Weight: 432.42
Empirical Formula: C22H23Cl2N3S

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 8.222
Rotatable bonds: 5
H-donors: 0
H-acceptors: 0
PSA: 56
Number of rings: 3

     

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