COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055412
Chemical Name: 5-(3-chlorophenyl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1[N+](=O)[O-]

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Molecular Weight: 385.83
Empirical Formula: C17H12ClN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.791
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 117
Number of rings: 3

     

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