Name: 2-[3-Bromo-2-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-3-hydroxy-7-(1-methyl-cyclopropyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILES:
CC(C)(C)[SiH2]OC(C)(C)c1c(Br)cccc1N1C(=O)c2cc(C3(C)CC3)ccc2CC1OMolecular Processing
Molecular formula
C26H34BrNO3Si
Molecular weight
516.55
Exact mass
515.1491
XLogP
5.58
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
136.06
Supplementary Information
Details werden geladen…
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