COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL290596
Chemical Name: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide(non-preferredname)
Smiles: O=C(CN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1)N/N=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 463.47
Empirical Formula: C22H17N5O5S

Physical State: Dry powder
Available Amount: 485 mg

Lipinsky:
logP: 3.951
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 4

     

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