COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027038
Chemical Name: N-{2-[4-(ethoxycarbonyl)-4-hexyl-2-methyl-5-oxotetrahydrofuran-2-yl]-2-oxoethyl}-1,3,4-thiadiazol-2-aminiumbromide(non-preferredname)
Smiles: CCCCCCC1(CC(OC1=O)(C)C(=O)C[NH2+]c1scnn1)C(=O)OCC.[Br-]

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Molecular Weight: 478.41
Empirical Formula: C18H28BrN3O5S

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 11
H-donors: 2
H-acceptors: 5
PSA: 140
Number of rings: 2

     

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