Chemical ID: 4204065

COc1ccc(cc1OC)CN2CCC(CC2)C(=O)N3CCc4ccccc4C3
Chemical ID:
4204065
Name [?]:
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1OC)CN2CCC(CC2)C(=O)N3CCc4ccccc4C3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H30N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.1167
Area:623.239
Solvation:-6.46428
Coulombic:-35.6554
Bond Count [?]
All:32
Single:25
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.507
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):2.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue