COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL347861
Chemical Name: 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 419.63
Empirical Formula: C26H33N3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 8.846
Rotatable bonds: 4
H-donors: 0
H-acceptors: 0
PSA: 56
Number of rings: 3

     

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