Chemical ID: 4554357

COc1ccccc1N2C(=O)C3C(C2=O)NN=C3C(=O)c4ccc5ccccc5n4
Chemical ID:
4554357
Name [?]:
7-(2-methoxyphenyl)-2-(2-quinolylcarbonyl)-3,4,7-triazabicyclo[3.3.0]oct-2-ene-6,8-dione
SMILES [?]:
COc1ccccc1N2C(=O)C3C(C2=O)NN=C3C(=O)c4ccc5ccccc5n4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16N4O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:8.44612
Area:582.508
Solvation:-6.11657
Coulombic:-55.8777
Bond Count [?]
All:34
Single:22
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:400.387
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.35
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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