COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL012063
Chemical Name: 4-(2,3-dibromopropyl)-3-(ethylsulfanyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole
Smiles: CCSc1nnc(n1CC(CBr)Br)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 450.15
Empirical Formula: C13H14Br2N4O2S

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 5.45
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 2

     

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