COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL186067
Chemical Name: 2-{[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)CSc1nnc(n1c1ccc(cc1)C(C)(C)C)COc1ccccc1

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Molecular Weight: 526.49
Empirical Formula: C27H25Cl2N3O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 9.053
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 4

     

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