COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049082
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]prop-2-enamide
Smiles: S=C(Nc1ccc(cc1)[N+](=O)[O-])NC(=O)/C=C/c1ccc(cc1Cl)Cl

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Molecular Weight: 396.25
Empirical Formula: C16H11Cl2N3O3S

Physical State: Dry powder
Available Amount: 539 mg

Lipinsky:
logP: 5.169
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 2

     

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