COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565059
Chemical Name: 5-(4-tert-butylphenyl)-4-{[(1E,2E)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cl/C(=C/c1ccccc1)/C=N/n1c(n[nH]c1=S)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 396.94
Empirical Formula: C21H21ClN4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.488
Rotatable bonds: 2
H-donors: 1
H-acceptors: 0
PSA: 72
Number of rings: 3

     

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