Name: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one
SMILES:
COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](N)C1=OMolecular Processing
Molecular formula
C15H20F2N2O2
Molecular weight
298.33
Exact mass
298.1493
XLogP
1.64
TPSA
55.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
74.76
Supplementary Information
Details werden geladen…
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