Chemical ID: 5653184

CCCCOc1ccc(c(c1)C)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)C(C)(C)C)[O-]
Chemical ID:
5653184
Name [?]:
(4-butoxy-2-methyl-phenyl)-[1-(3-dimethylammoniopropyl)-4,5-dioxo-2-(4-tert-butylphenyl)-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCCCOc1ccc(c(c1)C)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)C(C)(C)C)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H42N2O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-39.1485
Area:733.872
Solvation:-57.4953
Coulombic:-11.4226
Bond Count [?]
All:39
Single:30
Double:9
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:506.676
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.28
LogP (Chemaxon):2.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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