COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK862063
Chemical Name: ethyl2-({[1-(butanoylamino)-2,2,2-trichloroethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1sc2c(c1C(=O)OCC)CCCC2

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Molecular Weight: 500.9
Empirical Formula: C18H24Cl3N3O3S2

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 7.396
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 139
Number of rings: 2

     

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