COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094372
Chemical Name: ethyl3-(4-fluorophenyl)-2-methyl-8-nitro-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Smiles: CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(cc1)[N+](=O)[O-])c1ccc(cc1)F

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Molecular Weight: 431.44
Empirical Formula: C20H18FN3O5S

Physical State: Dry powder
Available Amount: 23 mg

Lipinsky:
logP: 4.284
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 128
Number of rings: 4

     

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