Название: (5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-pyridin-3-yl)-acetic acid
SMILES:
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ncc(Cl)cc1CC(=O)OMolecular Processing
Molecular formula
C22H25ClFN3O4
Molecular weight
449.91
Exact mass
449.1518
XLogP
3
TPSA
82.97
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
113.53
Supplementary Information
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