COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL287694
Chemical Name: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl3-methyl-4-nitrobenzoate
Smiles: Cc1cccc(c1)N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 479.51
Empirical Formula: C24H21N3O6S

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 4.94
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 4

     

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