名称: dimethyl (2S,3S,5R)-5-hydroxy-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate
SMILES:
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C20H27N3O6
Molecular weight
405.45
Exact mass
405.19
XLogP
0.33
TPSA
99.62
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
29
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
0.55
Molar refractivity
104.26
Supplementary Information
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