Name: 7-Benzyloxy-6-methoxy-2-methyl-1-[1-(2-methylthiophenyl) cyclobutyl]-1,2,3,4-tetrahydroisoquinoline
SMILES:
COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccccc3SC)CCC1)N(C)CC2Molecular Processing
Molecular formula
C29H33NO2S
Molecular weight
459.66
Exact mass
459.2232
XLogP
6.65
TPSA
21.7
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
136.59
Supplementary Information
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