SMILES:
CCOc1ccc(OC2CN(c3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)c(F)c1Molecular Processing
Molecular formula
C22H28FN3O3
Molecular weight
401.48
Exact mass
401.2115
XLogP
3.82
TPSA
54.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
111.27
Supplementary Information
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