名称: (1S,2S)-2-Amino-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-di-(fluoromethyl)propoxy)-5-methylmorpholin-3-yl]-propan-1-ol
SMILES:
C[C@@H]1N[C@@H]([C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)CO[C@H]1OCC(C)(CF)CFMolecular Processing
Molecular formula
C19H28F4N2O3
Molecular weight
408.44
Exact mass
408.2036
XLogP
1.86
TPSA
76.74
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
96.18
Supplementary Information
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