Chemical ID: 5656946

CCOc1ccc(cc1OC)C2C(=C(c3ccc(cc3)Br)[O-])C(=O)C(=O)N2CCC[NH+](C)C
Chemical ID:
5656946
Name [?]:
(4-bromophenyl)-[1-(3-dimethylammoniopropyl)-2-(4-ethoxy-3-methoxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(c3ccc(cc3)Br)[O-])C(=O)C(=O)N2CCC[NH+](C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29BrN2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-43.6403
Area:699.343
Solvation:-61.1239
Coulombic:-15.7951
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:517.412
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.55
LogP (Chemaxon):-0.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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