COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564633
Chemical Name: 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1ccccc1C)[N+](=O)[O-]

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Molecular Weight: 373.82
Empirical Formula: C16H12ClN5O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.782
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 117
Number of rings: 3

     

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