Chemical ID: 6187488

c1ccc(cc1)CN2CCc3c(cccc3OCC(=O)N4CCCC4)C2=O
Chemical ID:
6187488
Name [?]:
2-benzyl-5-(pyrrolidin-1-ylcarbonylmethoxy)-3,4-dihydroisoquinolin-1-one
SMILES [?]:
c1ccc(cc1)CN2CCc3c(cccc3OCC(=O)N4CCCC4)C2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.75569
Area:581.069
Solvation:-4.77103
Coulombic:-42.3329
Bond Count [?]
All:30
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.438
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.86
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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