COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK862007
Chemical Name: ethyl2-[(1-{[(4-bromophenyl)carbonyl]amino}-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1)Br

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Molecular Weight: 554.72
Empirical Formula: C20H20BrCl3N2O3S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 9.03
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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