COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406073
Chemical Name: 3-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazole
Smiles: Cn1c(SCCOc2ccccc2Cl)nnc1c1ccc2c(c1)OCCCO2

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Molecular Weight: 417.92
Empirical Formula: C20H20ClN3O3S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 5.886
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 4

     

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