COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178738
Chemical Name: 3-(butylsulfanyl)-5-(difluoromethyl)-N-[(E)-(2-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
Smiles: CCCCSc1nnc(n1/N=C/c1ccccc1[N+](=O)[O-])C(F)F

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Molecular Weight: 355.37
Empirical Formula: C14H15F2N5O2S

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 4.964
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 114
Number of rings: 2

     

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