Chemical ID: 5703912

CC[NH+](CC)CCN1C(C(=C(c2ccncc2)[O-])C(=O)C1=O)c3ccc(c(c3)OC)OC
Chemical ID:
5703912
Name [?]:
[1-(2-diethylammonioethyl)-2-(3,4-dimethoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccncc2)[O-])C(=O)C1=O)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H29N3O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-40.3289
Area:617.724
Solvation:-55.772
Coulombic:-22.6142
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:439.504
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.56
LogP (Chemaxon):-2.28

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