SMILES:
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1Molecular Processing
Molecular formula
C21H26F3N3O2
Molecular weight
409.45
Exact mass
409.1977
XLogP
2.94
TPSA
43.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
101.82
Supplementary Information
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