Chemical ID: 5654981

CCOc1ccc(cc1OCC)C2C(=C(c3ccc(cc3)Cl)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
Chemical ID:
5654981
Name [?]:
(4-chlorophenyl)-[2-(3,4-diethoxyphenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCOc1ccc(cc1OCC)C2C(=C(c3ccc(cc3)Cl)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H31ClN2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:-41.6612
Area:744.2
Solvation:-60.2662
Coulombic:-23.2244
Bond Count [?]
All:39
Single:30
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:514.998
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.04
LogP (Chemaxon):0.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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