Name: (2S,5R)-5-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-nitropropyl]-2-ethoxymorpholine-4-carboxylic acid tert-butyl ester
SMILES:
CCO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)[N+](=O)[O-])CO1Molecular Processing
Molecular formula
C20H28F2N2O7
Molecular weight
446.45
Exact mass
446.1865
XLogP
2.51
TPSA
111.37
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
104.95
Supplementary Information
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