الاسم: (2R,5R)-5-[(1S,2S)-2-amino-3-(3-chloro-5-fluorophenyl)-1-hydroxypropyl]-2-(2,2-dimethylpropoxy)-morpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O)[C@@H](N)Cc2cc(F)cc(Cl)c2)CO1Molecular Processing
Molecular formula
C23H36ClFN2O5
Molecular weight
475
Exact mass
474.2297
XLogP
3.73
TPSA
94.25
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
120.97
Supplementary Information
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