COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL291014
Chemical Name: 3-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]-N-tert-butylpropanamide
Smiles: O=C(NC(C)(C)C)CCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc2c(c1)OCO2

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Molecular Weight: 456.52
Empirical Formula: C22H24N4O5S

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 2.147
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 4

     

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