CCOC(=O)c1c(N2CCCC2)nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc12
SMILES: CCOC(=O)c1c(N2CCCC2)nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc12

Molecular Processing

Molecular formula
C26H22ClF3N4O2
Molecular weight
514.94
Exact mass
514.1383
XLogP
6.51
TPSA
59.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
131.27

Supplementary Information

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