COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043598
Chemical Name: 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide
Smiles: S=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)NC(=O)c1oc2c(c1C)cccc2

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Molecular Weight: 492.48
Empirical Formula: C22H19F3N4O4S

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 4.816
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 126
Number of rings: 4

     

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