Nombre: (2S,6R)-4-(4-chloro-quinolin-7-ylmethyl)-2,6-dimethyl-3-oxo-piperazine-1-carboxylic acid benzyl ester
SMILES:
C[C@@H]1CN(Cc2ccc3c(Cl)ccnc3c2)C(=O)[C@H](C)N1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C24H24ClN3O3
Molecular weight
437.93
Exact mass
437.1506
XLogP
4.65
TPSA
62.74
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
119.56
Supplementary Information
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