COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK169940
Chemical Name: N,N'-bis(3,4-dimethoxybenzyl)-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3,5-diamine
Smiles: COc1cc(CNc2nc(n(n2)S(=O)(=O)c2ccc(cc2)C)NCc2ccc(c(c2)OC)OC)ccc1OC

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Molecular Weight: 553.64
Empirical Formula: C27H31N5O6S

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 3.918
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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