Nombre: 2-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenoxy)-propionic acid ethyl ester
SMILES:
CCOC(=O)C(C)Oc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1CMolecular Processing
Molecular formula
C26H32ClFN2O5
Molecular weight
507
Exact mass
506.1984
XLogP
4.31
TPSA
68.31
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
131.12
Supplementary Information
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