Nom: dimethyl(2S,3S,5S)-5-methoxy-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate
SMILES:
COC(=O)[C@H]1C[C@H](OC)CN(C(=O)OC)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C21H29N3O6
Molecular weight
419.48
Exact mass
419.2056
XLogP
0.98
TPSA
88.62
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
109.05
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→