Chemical ID: 5694074

Cc1cc(ccc1C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(c(c3)OC)O)[O-])OCC(C)C
Chemical ID:
5694074
Name [?]:
[1-(3-dimethylammoniopropyl)-2-(4-hydroxy-3-methoxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isobutoxy-2-methyl-phenyl)-methanolate
SMILES [?]:
Cc1cc(ccc1C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(c(c3)OC)O)[O-])OCC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H36N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:-43.5523
Area:681.306
Solvation:-60.585
Coulombic:-31.8136
Bond Count [?]
All:38
Single:29
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:496.595
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.7
LogP (Chemaxon):-0.19

Name Annotations

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Descriptor Annotations

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