Название: methyl (1R,2S,3R,4S)-3-[(4-fluoro-3-methylbenzyl)amino]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
SMILES:
COC(=O)[C@H]1[C@@H](NCc2ccc(F)c(C)c2)[C@@H]2CC[C@H]1O2Molecular Processing
Molecular formula
C16H20FNO3
Molecular weight
293.34
Exact mass
293.1427
XLogP
1.94
TPSA
47.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
75.17
Supplementary Information
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