이름: 1-(3,4-Dimethoxy-benzyl)-6-methoxy-7-isopropoxy-1,2,3,4-tetrahydroisoquinoline
SMILES:
COc1ccc(CC2NCCc3cc(OC)c(OC(C)C)cc32)cc1OCMolecular Processing
Molecular formula
C22H29NO4
Molecular weight
371.48
Exact mass
371.2097
XLogP
3.93
TPSA
48.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
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
0.455
Molar refractivity
106.46
Supplementary Information
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