COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043582
Chemical Name: 2,6-di-tert-butyl-4-{(E)-[2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: COc1ccc(cc1)c1n[nH+]c(n1c1ccc(cc1)C)SCC(=O)N/N=C/c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(C)C

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Molecular Weight: 585.77
Empirical Formula: C33H39N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.711
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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