COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK766117
Chemical Name: methyl4,6-dinitro-3-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1NC(=O)C(C(F)(F)F)(OC)F)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 455.3
Empirical Formula: C14H9F4N3O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.227
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 184
Number of rings: 2

     

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