Name: 2-[(piperidin-3-yl)-ethyl]-6,7-dimethoxy-1-oxo-1,2,3,4-tetrahydro-isoquinoline
SMILES:
COc1cc2c(cc1OC)C(=O)N(CCC1CCCNC1)CC2Molecular Processing
Molecular formula
C18H26N2O3
Molecular weight
318.42
Exact mass
318.1943
XLogP
2.09
TPSA
50.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
89.36
Supplementary Information
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