Name: 5-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-5-oxo-pentanoic acid ethyl ester
SMILES:
CCOC(=O)CCCC(=O)c1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1CMolecular Processing
Molecular formula
C28H34ClFN2O5
Molecular weight
533.04
Exact mass
532.214
XLogP
4.9
TPSA
76.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
37
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
0.464
Molar refractivity
139.21
Supplementary Information
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