COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677969
Chemical Name: 4,4-diethyl-2-(2,4,6-trinitrophenyl)-1,4-dihydro-2H-3,1-benzoxazine
Smiles: CCC1(CC)OC(Nc2c1cccc2)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 402.36
Empirical Formula: C18H18N4O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.4
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 158
Number of rings: 3

     

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