COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL291033
Chemical Name: N-tert-butyl-3-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(3,4,5-trimethoxybenzylidene)hydrazinyl]propanamide
Smiles: COc1cc(/C=N/N(C2=NS(=O)(=O)c3c2cccc3)CCC(=O)NC(C)(C)C)cc(c1OC)OC

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Molecular Weight: 502.59
Empirical Formula: C24H30N4O6S

Physical State: Dry powder
Available Amount: 514 mg

Lipinsky:
logP: 2.727
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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