Name: 2-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzyl)-isoindole-1,3-dione
SMILES:
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C30H29ClFN3O4
Molecular weight
550.03
Exact mass
549.1831
XLogP
4.78
TPSA
70.16
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
145.04
Supplementary Information
Details werden geladen…
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