COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094491
Chemical Name: hexa-tert-butyl2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris(nitropropanedioate)
Smiles: [O-][N+](=O)C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

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Molecular Weight: 858.85
Empirical Formula: C36H54N6O18

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 19.124
Rotatable bonds: 12
H-donors: 0
H-acceptors: 18
PSA: 333
Number of rings: 1

     

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