Nom: 1-{2-[(3S,4S)-3-(Aminomethyl)-4-hydroxy-1-pyrrolidinyl]ethyl}-7-(methyloxy)-2(1H)-quinolinone
SMILES:
COc1ccc2ccc(=O)n(CCN3C[C@H](CN)[C@H](O)C3)c2c1Molecular Processing
Molecular formula
C17H23N3O3
Molecular weight
317.39
Exact mass
317.1739
XLogP
0.26
TPSA
80.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
89.75
Supplementary Information
Récupération des détails…
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