COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807271
Chemical Name: 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: CCn1c(nnc1COc1ccc2c(c1)OCO2)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 414.44
Empirical Formula: C19H18N4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.191
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 4

     

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