COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681591
Chemical Name: 2-{[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1c1ccc(cc1)Br

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Molecular Weight: 552.45
Empirical Formula: C26H22BrN3O4S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 8.005
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 5

     

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