이름: methyl(2S,3S,5S)-5-methoxy-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-3-carboxylate
SMILES:
COC(=O)[C@H]1C[C@H](OC)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C19H27N3O4
Molecular weight
361.44
Exact mass
361.2002
XLogP
0.5
TPSA
71.11
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
97.95
Supplementary Information
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