Chemical ID: 4059887

COc1cc2c(cc1OC)CN(CC2)C(=O)Nc3ccc(cc3)SC
Chemical ID:
4059887
Name [?]:
N,N-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)C(=O)Nc3ccc(cc3)SC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H22N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.31271
Area:567.641
Solvation:-5.87832
Coulombic:-44.5916
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:358.456
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):3.5

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