Chemical ID: 5711678

CCOc1ccc(cc1OC)C2C(=C(c3ccc(cc3C)OC)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
Chemical ID:
5711678
Name [?]:
[2-(4-ethoxy-3-methoxy-phenyl)-1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-2-methyl-phenyl)-methanolate
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(c3ccc(cc3C)OC)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H36N2O7
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:-44.1793
Area:744.1
Solvation:-62.7818
Coulombic:-28.47
Bond Count [?]
All:41
Single:32
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:524.605
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.7
LogP (Chemaxon):-0.07

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