COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406069
Chemical Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Cn1c(SCCOc2ccccc2)nnc1c1ccc2c(c1)OCCCO2

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Molecular Weight: 383.47
Empirical Formula: C20H21N3O3S

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 5.341
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 4

     

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