Name: 6-(2,2-dibromo-vinyl)-2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline-6-carboxaldehyde
SMILES:
CC1(C)CN(C2CC2)CC2=C1CC(C=O)(C=C(Br)Br)C=C2Molecular Processing
Molecular formula
C17H21Br2NO
Molecular weight
415.17
Exact mass
412.999
XLogP
4.56
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
93.59
Supplementary Information
Details werden geladen…
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