COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK716006
Chemical Name: (2Z)-2-(phenylsulfonyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-enenitrile
Smiles: N#C/C(=C/N1CCN(CC1)c1cccc(c1)C(F)(F)F)/S(=O)(=O)c1ccccc1

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Molecular Weight: 421.44
Empirical Formula: C20H18F3N3O2S

Physical State: Dry powder
Available Amount: 459 mg

Lipinsky:
logP: 3.562
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 72
Number of rings: 3

     

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