COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL031955
Chemical Name: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-nitrophenoxy)acetamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C)COc1ccccc1[N+](=O)[O-]

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Molecular Weight: 447.51
Empirical Formula: C21H25N3O6S

Physical State: Dry powder
Available Amount: 265 mg

Lipinsky:
logP: 1.099
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 121
Number of rings: 3

     

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