COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL412515
Chemical Name: ethyl[5-cyano-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-6-yl]imidoformate
Smiles: CCO/C=N/C1=C(C#N)C(C(C(S1)c1ccccc1)[N+](=O)[O-])c1ccc(cc1)C

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Molecular Weight: 407.49
Empirical Formula: C22H21N3O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 7.909
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 116
Number of rings: 3

     

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