Chemical ID: 5657897

C[NH+](C)CCCN1C(C(=C(c2ccc(c(c2)OC)OC)[O-])C(=O)C1=O)c3ccc(c(c3)OC)OC
Chemical ID:
5657897
Name [?]:
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)-1-(3-dimethylammoniopropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
C[NH+](C)CCCN1C(C(=C(c2ccc(c(c2)OC)OC)[O-])C(=O)C1=O)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H32N2O7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-43.8722
Area:675.644
Solvation:-60.7633
Coulombic:-32.3352
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:484.542
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.89
LogP (Chemaxon):-2.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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