COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406071
Chemical Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Smiles: COc1ccccc1OCCSc1nnc(n1C)c1ccc2c(c1)OCCCO2

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Molecular Weight: 413.5
Empirical Formula: C21H23N3O4S

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 5.163
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 92
Number of rings: 4

     

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