Chemical ID: 6591361

COc1ccc(cc1)CN2C(=O)c3ccccc3C(=CNc4ccc(cc4)OC)C2=O
Chemical ID:
6591361
Name [?]:
4-[(4-methoxyphenyl)aminomethylene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione
SMILES [?]:
COc1ccc(cc1)CN2C(=O)c3ccccc3C(=CNc4ccc(cc4)OC)C2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.737
Area:633.077
Solvation:-5.08993
Coulombic:-54.2567
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:414.453
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.39
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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