Chemical ID: 5674969

CCCCOc1ccc(cc1C)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3cccnc3)[O-]
Chemical ID:
5674969
Name [?]:
(4-butoxy-3-methyl-phenyl)-[1-(3-dimethylammoniopropyl)-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCCCOc1ccc(cc1C)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3cccnc3)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H33N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-41.3453
Area:678.763
Solvation:-58.3143
Coulombic:-14.4946
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:451.558
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.0
LogP (Chemaxon):-1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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