이름: (5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-pyridin-3-yl)-acetic acid methyl ester
SMILES:
COC(=O)Cc1cc(Cl)cnc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1CMolecular Processing
Molecular formula
C23H27ClFN3O4
Molecular weight
463.94
Exact mass
463.1674
XLogP
3.09
TPSA
71.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
117.91
Supplementary Information
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