COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757009
Chemical Name: 2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl4-methyl-3,5-dinitrobenzoate
Smiles: COc1cc(cc(c1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)OC)C(=S)N1CCOCC1

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Molecular Weight: 491.48
Empirical Formula: C21H21N3O9S

Physical State: Dry powder
Available Amount: 835 mg

Lipinsky:
logP: 2.89
Rotatable bonds: 3
H-donors: 0
H-acceptors: 9
PSA: 180
Number of rings: 3

     

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