COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL177259
Chemical Name: 3-(difluoromethyl)-5-(methylsulfanyl)-N-[(E)-(3-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
Smiles: CSc1nnc(n1/N=C/c1cccc(c1)[N+](=O)[O-])C(F)F

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Molecular Weight: 313.29
Empirical Formula: C11H9F2N5O2S

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 3.18
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 114
Number of rings: 2

     

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