Nom: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-2-one
SMILES:
N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=OMolecular Processing
Molecular formula
C18H19F2N3O
Molecular weight
331.37
Exact mass
331.1496
XLogP
2.59
TPSA
59.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
85.96
Supplementary Information
Récupération des détails…
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