COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454623
Chemical Name: 3-[1-(4-bromophenoxy)ethyl]-5-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccc(cc2Cl)F)nnc1C(Oc1ccc(cc1)Br)C

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Molecular Weight: 482.8
Empirical Formula: C20H18BrClFN3OS

Physical State: Liquid
Available Amount: 523 mg

Lipinsky:
logP: 6.505
Rotatable bonds: 7
H-donors: 0
H-acceptors: 1
PSA: 65
Number of rings: 3

     

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