Chemical ID: 4779101

COc1cc2c(cc1OC)CN(CC2)C(=O)C3CCC3
Chemical ID:
4779101
Name [?]:
cyclobutyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-methanone
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)C(=O)C3CCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H21NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.15561
Area:462.611
Solvation:-5.40967
Coulombic:-29.6422
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.343
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.75
LogP (Chemaxon):1.8

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