Chemical ID: 6288976

CCOC(=O)C(C)Oc1cccc2c1ccn(c2=O)CC(=O)NCc3ccc(cc3)F
Chemical ID:
6288976
Name [?]:
ethyl 2-[[2-[(4-fluorophenyl)methylcarbamoylmethyl]-1-oxo-5-isoquinolyl]oxy]propanoate
SMILES [?]:
CCOC(=O)C(C)Oc1cccc2c1ccn(c2=O)CC(=O)NCc3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H23FN2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.4963
Area:669.294
Solvation:-6.23602
Coulombic:-69.1606
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:426.438
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.31
LogP (Chemaxon):2.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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