COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455741
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Smiles: COc1cc(CCNC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)ccc1OC

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Molecular Weight: 453.53
Empirical Formula: C22H26F3N3O2S

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 4.11
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 69
Number of rings: 3

     

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