Name: 6-bromo-1-(6-chloro-7-methoxy-2,3-dimethylquinolin-4-yl)-2′,3′,5′,6′-tetrahydrospiro[indoline-3,4′-pyran]
SMILES:
COc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(Br)cc43)c2cc1ClMolecular Processing
Molecular formula
C24H24BrClN2O2
Molecular weight
487.83
Exact mass
486.071
XLogP
6.48
TPSA
34.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
125.66
Supplementary Information
Details werden geladen…
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