COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406070
Chemical Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Smiles: Cn1c(SCCOc2ccc(c(c2)C)C)nnc1c1ccc2c(c1)OCCCO2

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Molecular Weight: 411.52
Empirical Formula: C22H25N3O3S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 6.261
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 4

     

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