COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582490
Chemical Name: 3-[(4-tert-butylbenzyl)sulfanyl]-4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)OC

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Molecular Weight: 473.64
Empirical Formula: C28H31N3O2S

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 9.132
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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