Chemical ID: 5686087

CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OCc3ccccc3)[O-])C(=O)C1=O)c4ccc(cc4)F
Chemical ID:
5686087
Name [?]:
(4-benzyloxy-3-methyl-phenyl)-[1-(2-diethylammonioethyl)-2-(4-fluorophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OCc3ccccc3)[O-])C(=O)C1=O)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H33FN2O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:-37.4649
Area:735.718
Solvation:-55.8578
Coulombic:-17.1341
Bond Count [?]
All:41
Single:29
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:516.603
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.27
LogP (Chemaxon):1.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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