COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114013
Chemical Name: 3-[(4-tert-butylphenoxy)methyl]-4-phenyl-5-{[2-(phenylsulfonyl)ethyl]sulfanyl}-4H-1,2,4-triazole
Smiles: CC(c1ccc(cc1)OCc1nnc(n1c1ccccc1)SCCS(=O)(=O)c1ccccc1)(C)C

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Molecular Weight: 507.68
Empirical Formula: C27H29N3O3S2

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 6.992
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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