COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054939
Chemical Name: 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 403.85
Empirical Formula: C17H14ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.57
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 127
Number of rings: 3

     

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