CC[C@@H]1C[C@H](Nc2ccc(N3CCOCC3)cn2)c2cc(C(F)(F)F)ccc2N1C(=O)Oc1ccc([N+](=O)[O-])cc1
Nombre: compound
SMILES: CC[C@@H]1C[C@H](Nc2ccc(N3CCOCC3)cn2)c2cc(C(F)(F)F)ccc2N1C(=O)Oc1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C28H28F3N5O5
Molecular weight
571.56
Exact mass
571.2043
XLogP
6.19
TPSA
110.07
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
145.37

Supplementary Information

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