COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK164121
Chemical Name: 4-(butan-2-yloxy)-N-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide
Smiles: CCC(Oc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])Cl)C

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Molecular Weight: 476.98
Empirical Formula: C22H25ClN4O4S

Physical State: Dry powder
Available Amount: 500 mg

Lipinsky:
logP: 5.324
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 3

     

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