Chemical ID: 5682164

CC[NH+](CC)CCCN1C(C(=C(c2ccncc2)[O-])C(=O)C1=O)c3ccc(cc3)OCC
Chemical ID:
5682164
Name [?]:
[1-(3-diethylammoniopropyl)-2-(4-ethoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate
SMILES [?]:
CC[NH+](CC)CCCN1C(C(=C(c2ccncc2)[O-])C(=O)C1=O)c3ccc(cc3)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H31N3O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-39.9335
Area:644.945
Solvation:-56.0571
Coulombic:-15.3272
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:437.531
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.7
LogP (Chemaxon):-2.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue