COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK464693
Chemical Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
Smiles: CCOc1ccccc1N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 445.93
Empirical Formula: C21H20ClN3O4S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 5.105
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 106
Number of rings: 4

     

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