Name: 5-chloro-3-(2-ethoxypyridin-3-yl)-6-fluoro-3-{2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxo-ethyl}-1,3-dihydroindol-2-one
SMILES:
CCOc1ncccc1C1(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)Nc2cc(F)c(Cl)cc21Molecular Processing
Molecular formula
C27H33ClFN5O3
Molecular weight
530.04
Exact mass
529.2256
XLogP
3.14
TPSA
78.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
139.51
Supplementary Information
Details werden geladen…
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