Название: (R)-5-[(1S,2S)-2-acetylamino-3-(3,5-difluorophenyl)-1-hydroxypropyl]-2-ethoxymorpholine-4-carboxylic acid tert-butyl ester
SMILES:
CCO[C@H]1CN(C(=O)OC(C)(C)C)C([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)CO1Molecular Processing
Molecular formula
C22H32F2N2O6
Molecular weight
458.5
Exact mass
458.2228
XLogP
2.37
TPSA
97.33
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
111.77
Supplementary Information
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