Nom: 1-{2-[(3R,4S)-4-amino-3-hydroxy-1-piperidinyl]ethyl}-7-(methyloxy)-1,5-naphthyridin-2(1H)-one dihydrochloride
SMILES:
COc1cnc2ccc(=O)n(CCN3CC[C@H](N)[C@H](O)C3)c2c1.Cl.ClMolecular Processing
Molecular formula
C16H24Cl2N4O3
Molecular weight
391.3
Exact mass
390.1225
XLogP
0.64
TPSA
93.61
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.5
Molar refractivity
102.09
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→