Name: 2-[3-Bromo-2-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-7-(1-methyl-cyclopropyl)-2H-isoquinolin-1-one
SMILES:
CC(C)(C)[SiH2]OC(C)(C)c1c(Br)cccc1-n1ccc2ccc(C3(C)CC3)cc2c1=OMolecular Processing
Molecular formula
C26H32BrNO2Si
Molecular weight
498.54
Exact mass
497.1386
XLogP
6.36
TPSA
31.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
136.2
Supplementary Information
Details werden geladen…
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