SMILES:
COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)CF)c1Molecular Processing
Molecular formula
C25H23F2N3O3
Molecular weight
451.47
Exact mass
451.1707
XLogP
4.77
TPSA
65.38
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
120.97
Supplementary Information
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