Name: {4-[2-(4-benzyl-piperidin-1-yl)-2-oxo-ethyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester
SMILES:
COc1cc2c(CC(=O)N3CCC(Cc4ccccc4)CC3)cnc(CNC(=O)OC(C)(C)C)c2cc1OCMolecular Processing
Molecular formula
C31H39N3O5
Molecular weight
533.67
Exact mass
533.289
XLogP
5.3
TPSA
89.99
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
151.07
Supplementary Information
Details werden geladen…
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