COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382829
Chemical Name: 2-methoxy-4-(morpholin-4-ylcarbonothioyl)phenyl2,4-dinitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=S)N1CCOCC1

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Molecular Weight: 447.43
Empirical Formula: C19H17N3O8S

Physical State: Dry powder
Available Amount: 510 mg

Lipinsky:
logP: 2.008
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 171
Number of rings: 3

     

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