Name: (+)-1-[1-(2-chlorophenyl)cyclobutyl]-6-fluoro-7-hydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromide
SMILES:
Br.CN1CCc2cc(F)c(O)cc2C1C1(c2ccccc2Cl)CCC1Molecular Processing
Molecular formula
C20H22BrClFNO
Molecular weight
426.76
Exact mass
425.0557
XLogP
5.41
TPSA
23.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
104.44
Supplementary Information
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