COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL024913
Chemical Name: 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)nnc1c1cc(Br)ccc1O

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Molecular Weight: 504.36
Empirical Formula: C20H18BrN5O4S

Available Amount: 0 mg

Lipinsky:
logP: 7.023
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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