Chemical ID: 5676781

CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OCc3ccccc3)[O-])C(=O)C1=O)c4ccccc4
Chemical ID:
5676781
Name [?]:
(4-benzyloxy-3-methyl-phenyl)-[1-(2-diethylammonioethyl)-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OCc3ccccc3)[O-])C(=O)C1=O)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H34N2O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-36.6918
Area:729.235
Solvation:-54.9227
Coulombic:-14.282
Bond Count [?]
All:40
Single:28
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:498.613
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.1
LogP (Chemaxon):1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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