이름: 1-(3,4-Dimethoxy-benzyl)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILES:
COc1ccc(CC2NCCc3c(OC)ccc(OC)c32)cc1OCMolecular Processing
Molecular formula
C20H25NO4
Molecular weight
343.42
Exact mass
343.1784
XLogP
3.15
TPSA
48.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
97.24
Supplementary Information
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