CC(C)(C)OC(=O)N1CCN(c2cc(NCc3ccc(OC(F)(F)F)cc3)c([N+](=O)[O-])cc2F)CC1
SMILES: CC(C)(C)OC(=O)N1CCN(c2cc(NCc3ccc(OC(F)(F)F)cc3)c([N+](=O)[O-])cc2F)CC1

Molecular Processing

Molecular formula
C23H26F4N4O5
Molecular weight
514.48
Exact mass
514.1839
XLogP
5.3
TPSA
97.18
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
123.53

Supplementary Information

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