COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK293389
Chemical Name: 1-[5-(1,3-benzodioxol-5-yl)-4-tert-butyl-1-(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Smiles: Clc1ccc(cc1)N1N=C(N(C1c1ccc2c(c1)OCO2)C(C)(C)C)C(=O)C

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Molecular Weight: 399.88
Empirical Formula: C21H22ClN3O3

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 3.59
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 54
Number of rings: 4

     

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