COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL290998
Chemical Name: 2-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(4-nitrobenzylidene)hydrazinyl]ethyl2,4-dichlorobenzoate
Smiles: Clc1ccc(c(c1)Cl)C(=O)OCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 547.37
Empirical Formula: C23H16Cl2N4O6S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 5.538
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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