COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045184
Chemical Name: tetra-tert-butyl2,2'-[6-(benzylamino)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Smiles: [O-][N+](=O)C(c1nc(NCc2ccccc2)nc(n1)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: 704.73
Empirical Formula: C32H44N6O12

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 14.785
Rotatable bonds: 11
H-donors: 1
H-acceptors: 12
PSA: 247
Number of rings: 2

     

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