Chemical ID: 5699891

CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OC)[O-])C(=O)C1=O)c3ccc(cc3OC)OC
Chemical ID:
5699891
Name [?]:
[1-(2-diethylammonioethyl)-2-(2,4-dimethoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OC)[O-])C(=O)C1=O)c3ccc(cc3OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H34N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-37.3671
Area:666.181
Solvation:-54.0216
Coulombic:-27.8409
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:482.569
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.22
LogP (Chemaxon):-0.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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