Nom: ((3S,5S,6S)-1,5-bis(methoxycarbonyl)-6-[(4-phenylpiperazin-1-yl)carbonyl]piperidin-3-yloxy)acetic acid
SMILES:
COC(=O)[C@H]1C[C@H](OCC(=O)O)CN(C(=O)OC)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C22H29N3O8
Molecular weight
463.49
Exact mass
463.1955
XLogP
0.43
TPSA
125.92
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
115.63
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→