COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044027
Chemical Name: tetra-tert-butyl2,2'-[6-(1,3-di-tert-butoxy-1,3-dioxopropan-2-yl)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Smiles: O=C(C(C(=O)OC(C)(C)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-])OC(C)(C)C

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Molecular Weight: 813.86
Empirical Formula: C36H55N5O16

Physical State: Dry powder
Available Amount: 152 mg

Lipinsky:
logP: 15.838
Rotatable bonds: 14
H-donors: 0
H-acceptors: 16
PSA: 288
Number of rings: 1

     

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