COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382815
Chemical Name: 2-methoxy-4-(morpholin-4-ylcarbonothioyl)phenyl4-methyl-3,5-dinitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)C(=S)N1CCOCC1

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Molecular Weight: 461.45
Empirical Formula: C20H19N3O8S

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 2.832
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 171
Number of rings: 3

     

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