SMILES:
O=C(O)c1cn(C2CC2)c2c(F)c(N3CCC(CNCCF)C3)c(F)cc2c1=OMolecular Processing
Molecular formula
C20H22F3N3O3
Molecular weight
409.41
Exact mass
409.1613
XLogP
2.7
TPSA
74.57
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
102.52
Supplementary Information
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