COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL265595
Chemical Name: 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Smiles: O=C(c1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C(C)(C)C

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Saltdata: HBr
Molecular Weight: 515.63
Empirical Formula: C29H29N3O4S

Available Amount: 0 mg

Lipinsky:
logP: 7.733
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 5

     

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