COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL291121
Chemical Name: N-tert-butyl-3-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(4-nitrobenzylidene)hydrazinyl]propanamide
Smiles: O=C(NC(C)(C)C)CCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 457.51
Empirical Formula: C21H23N5O5S

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 2.657
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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