Chemical ID: 4779099

COc1cc2c(cc1OC)CN(CC2)C(=O)c3cccs3
Chemical ID:
4779099
Name [?]:
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-thienyl)methanone
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)C(=O)c3cccs3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H17NO3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.80361
Area:477.059
Solvation:-5.12287
Coulombic:-32.3587
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.377
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.71
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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