COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444061
Chemical Name: 5-(2-chloro-6-fluorobenzyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1OC)CCn1c(S)nnc1Cc1c(F)cccc1Cl

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Molecular Weight: 407.9
Empirical Formula: C19H19ClFN3O2S

Physical State: Dry powder
Available Amount: 619 mg

Lipinsky:
logP: 4.463
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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