COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK849778
Chemical Name: (2E)-N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 403.44
Empirical Formula: C17H13N3O5S2

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 2.894
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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