COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL027071
Chemical Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Smiles: CCn1c(S)nnc1c1ccc2c(c1)OCCCO2

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Molecular Weight: 277.35
Empirical Formula: C13H15N3O2S

Available Amount: 0 mg

Lipinsky:
logP: 3.832
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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