Chemical ID: 5691853

COc1ccc(cc1OC)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4ccncc4)[O-]
Chemical ID:
5691853
Name [?]:
(3,4-dimethoxyphenyl)-[1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
COc1ccc(cc1OC)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4ccncc4)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27N3O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-43.1715
Area:639.502
Solvation:-59.1591
Coulombic:-27.2754
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:453.488
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.32
LogP (Chemaxon):-1.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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