COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK314763
Chemical Name: 3-(butylsulfanyl)-5-(difluoromethyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4H-1,2,4-triazol-4-amine
Smiles: CCCCSc1nnc(n1/N=C/c1cc2OCOc2cc1[N+](=O)[O-])C(F)F

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Molecular Weight: 399.38
Empirical Formula: C15H15F2N5O4S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.783
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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