이름: ethyl (1S,3S,4S,6R,7S)-6-hydroxy-7-iodo-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptane-3-carboxylate
SMILES:
CCOC(=O)[C@@H]1[C@@H]2C[C@@H](O)[C@@H]([C@H]2I)N1[C@H](C)c1ccccc1Molecular Processing
Molecular formula
C17H22INO3
Molecular weight
415.27
Exact mass
415.0644
XLogP
2.55
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
92.83
Supplementary Information
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