SMILES:
COc1c(N2CC(F)C(CNC3CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3F)c12Molecular Processing
Molecular formula
C22H25F3N4O4
Molecular weight
466.46
Exact mass
466.1828
XLogP
2.24
TPSA
109.82
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
116.26
Supplementary Information
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