COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367680
Chemical Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Smiles: CC(n1c(nnc1S)Cc1ccc2c(c1)OCCCO2)C

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Molecular Weight: 305.4
Empirical Formula: C15H19N3O2S

Physical State: Dry powder
Available Amount: 980 mg

Lipinsky:
logP: 3.266
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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