COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037002
Chemical Name: 5-(4-chlorophenyl)-4-{[(E)-(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 359.8
Empirical Formula: C15H10ClN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.181
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 117
Number of rings: 3

     

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