COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK435091
Chemical Name: 2-[(5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)nnc1c1cccc(c1)COc1ccccc1Br

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Molecular Weight: 602.9
Empirical Formula: C25H21BrClN5O4S

Physical State: Dry powder
Available Amount: 781 mg

Lipinsky:
logP: 7.691
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 140
Number of rings: 4

     

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