Chemical ID: 5655520

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)OC)[O-]
Chemical ID:
5655520
Name [?]:
[1-(3-dimethylammoniopropyl)-2-(4-methoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-propoxyphenyl)-methanolate
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)OC)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H32N2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-42.048
Area:668.775
Solvation:-58.7674
Coulombic:-18.0801
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:452.543
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.38
LogP (Chemaxon):-0.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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