Chemical ID: 5689078

CCCCOc1ccc(cc1C)C(=C2C(N(C(=O)C2=O)CC[NH+](CC)CC)c3ccc(c(c3)OC)OCC)[O-]
Chemical ID:
5689078
Name [?]:
(4-butoxy-3-methyl-phenyl)-[1-(2-diethylammonioethyl)-2-(4-ethoxy-3-methoxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCCCOc1ccc(cc1C)C(=C2C(N(C(=O)C2=O)CC[NH+](CC)CC)c3ccc(c(c3)OC)OCC)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H42N2O6
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:-37.6027
Area:780.553
Solvation:-57.1165
Coulombic:-26.661
Bond Count [?]
All:41
Single:32
Double:9
Rotors:14
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:538.675
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.73
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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