COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064190
Chemical Name: tert-butyl4-{[(2-nitrophenyl)carbonyl]carbamothioyl}piperazine-1-carboxylate
Smiles: S=C(N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 394.45
Empirical Formula: C17H22N4O5S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 0.913
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 139
Number of rings: 2

     

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