Chemical ID: 5672489

CCOc1ccc(cc1)C2C(=C(c3ccc(cc3C)OCc4ccccc4)[O-])C(=O)C(=O)N2CCC[NH+](C)C
Chemical ID:
5672489
Name [?]:
(4-benzyloxy-2-methyl-phenyl)-[1-(3-dimethylammoniopropyl)-2-(4-ethoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(c3ccc(cc3C)OCc4ccccc4)[O-])C(=O)C(=O)N2CCC[NH+](C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C32H36N2O5
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:-40.338
Area:797.879
Solvation:-60.285
Coulombic:-17.3651
Bond Count [?]
All:42
Single:30
Double:12
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:528.639
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.17
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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