COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526211
Chemical Name: (3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-{2-[(4-nitrophenyl)amino]-2-oxoethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

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Molecular Weight: 451.43
Empirical Formula: C20H25N3O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.832
Rotatable bonds: 3
H-donors: 2
H-acceptors: 9
PSA: 150
Number of rings: 4

     

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