Название: dimethyl(2S,3S,5S)-5-tert-butoxy-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate
SMILES:
COC(=O)[C@H]1C[C@H](OC(C)(C)C)CN(C(=O)OC)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C24H35N3O6
Molecular weight
461.56
Exact mass
461.2526
XLogP
2.15
TPSA
88.62
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
33
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
0.625
Molar refractivity
122.88
Supplementary Information
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