Chemical ID: 5741270

CCCCOc1ccc(cc1C)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(c(c3)OC)O)[O-]
Chemical ID:
5741270
Name [?]:
(4-butoxy-3-methyl-phenyl)-[1-(3-dimethylammoniopropyl)-2-(4-hydroxy-3-methoxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCCCOc1ccc(cc1C)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(c(c3)OC)O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H36N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:-42.5725
Area:719.214
Solvation:-60.5529
Coulombic:-32.9538
Bond Count [?]
All:38
Single:29
Double:9
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:496.595
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.77
LogP (Chemaxon):-0.3

Name Annotations

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Descriptor Annotations

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