COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK432024
Chemical Name: ethyl6-tert-butyl-2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC(C2)C(C)(C)C

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Molecular Weight: 379.56
Empirical Formula: C21H33NO3S

Physical State: Liquid
Available Amount: 1286 mg

Lipinsky:
logP: 7.696
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 2

     

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