COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171229
Chemical Name: methyl6-tert-butyl-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 446.52
Empirical Formula: C22H26N2O6S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.282
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 138
Number of rings: 3

     

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