COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL267510
Chemical Name: 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Smiles: O=C(c1ccccc1)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C(C)(C)C

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Saltdata: HBr
Molecular Weight: 457.6
Empirical Formula: C27H27N3O2S

Available Amount: 0 mg

Lipinsky:
logP: 7.648
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 4

     

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