COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118877
Chemical Name: N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-4-chlorobenzamide
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1C(NC(=O)c1ccc(cc1)Cl)C

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Molecular Weight: 507.84
Empirical Formula: C21H20BrClN4O2S

Physical State: Dry powder
Available Amount: 442 mg

Lipinsky:
logP: 5.344
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 102
Number of rings: 3

     

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