Name: 7-benzyloxy-6-methoxy-1-[1-(2-methoxyphenyl) cyclopropyl]-3,4-dihydroisoquinoline
SMILES:
COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccccc3OC)CC1)=NCC2Molecular Processing
Molecular formula
C27H27NO3
Molecular weight
413.52
Exact mass
413.1991
XLogP
5.36
TPSA
40.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
122.78
Supplementary Information
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