COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806816
Chemical Name: 2-({5-[(2,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Smiles: Clc1ccc(c(c1)Cl)OCc1nnc(n1c1ccccc1)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 515.38
Empirical Formula: C23H16Cl2N4O4S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 7.028
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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