Name: (±)-6,7-dimethoxy-2-{[1-(tert-butyloxycarbonyl)-3-piperidyl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
SMILES:
COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)CC2Molecular Processing
Molecular formula
C22H32N2O5
Molecular weight
404.51
Exact mass
404.2311
XLogP
3.24
TPSA
68.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
109.2
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→