COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL120989
Chemical Name: (2E)-N-[2-(tert-butylsulfanyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCCSC(C)(C)C

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Molecular Weight: 308.4
Empirical Formula: C15H20N2O3S

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 3.442
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 1

     

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