COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286955
Chemical Name: 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl4-nitrobenzoate
Smiles: CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 437.43
Empirical Formula: C21H15N3O6S

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 2.639
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 4

     

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