Nombre: 6-Butoxy-2-[3-fluoro-4-((R)-3-methylaminopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILES:
CCCCOc1ccc2c(c1)CCN(c1ccc(N3CC[C@@H](NC)C3)c(F)c1)C2=OMolecular Processing
Molecular formula
C24H30FN3O2
Molecular weight
411.52
Exact mass
411.2322
XLogP
4.01
TPSA
44.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
118.3
Supplementary Information
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