이름: ethyl (1S, 3S, 4R)-2-[(R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
SMILES:
CCOC(=O)[C@@H]1[C@H]2C=C[C@H](C2)N1[C@H](C)c1ccccc1Molecular Processing
Molecular formula
C17H21NO2
Molecular weight
271.36
Exact mass
271.1572
XLogP
2.94
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
78.15
Supplementary Information
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