COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050571
Chemical Name: 4-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

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Molecular Weight: 556.38
Empirical Formula: C17H17BrF3N5O4S2

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 2.897
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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