COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL363162
Chemical Name: 1-ethyl-5,6-bis(methoxycarbonyl)-2-methyl-3-octyl-1H-3,1-benzimidazol-3-ium
Smiles: CCCCCCCC[n+]1c(C)n(c2c1cc(C(=O)OC)c(c2)C(=O)OC)CC

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Saltdata: I-
Molecular Weight: 389.52
Empirical Formula: C22H33N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 12
H-donors: 0
H-acceptors: 4
PSA: 61
Number of rings: 2

     

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