Chemical ID: 5683536

COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4ccc(cc4)N(=O)=O)[O-]
Chemical ID:
5683536
Name [?]:
(4-methoxyphenyl)-[2-(4-nitrophenyl)-1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
COc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4ccc(cc4)N(=O)=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H27N3O7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-47.6692
Area:687.082
Solvation:-64.8462
Coulombic:-26.7291
Bond Count [?]
All:38
Single:27
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:481.498
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:2.17
LogP (Chemaxon):-0.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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