COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367681
Chemical Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1c1ccccc1)Cc1ccc2c(c1)OCCCO2

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Molecular Weight: 339.42
Empirical Formula: C18H17N3O2S

Physical State: Dry powder
Available Amount: 953 mg

Lipinsky:
logP: 4.576
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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