COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK769639
Chemical Name: ethyl3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-3-(3-nitrophenyl)propanoate
Smiles: CCOC(=O)CC(c1cccc(c1)[N+](=O)[O-])NS(=O)(=O)c1cccc2c1nsn2

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Molecular Weight: 436.47
Empirical Formula: C17H16N4O6S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.015
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 180
Number of rings: 3

     

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