COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445483
Chemical Name: 3-(3-chlorophenyl)-5-[(2,4-dinitrophenyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
Smiles: CCn1c(nnc1c1cccc(c1)Cl)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 405.82
Empirical Formula: C16H12ClN5O4S

Physical State: Dry powder
Available Amount: 737 mg

Lipinsky:
logP: 5.902
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 147
Number of rings: 3

     

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