COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK218760
Chemical Name: 3,4-dimethoxy-N-({4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Smiles: COc1ccc(cc1OC)C(=O)NCc1nnc(n1C)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 443.48
Empirical Formula: C20H21N5O5S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 2.673
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 149
Number of rings: 3

     

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