Chemical ID: 5676722

C[NH+](C)CCN1C(C(=C(c2cc3cccc(c3o2)OC)[O-])C(=O)C1=O)c4ccc(cc4)C(=O)OC
Chemical ID:
5676722
Name [?]:
[1-(2-dimethylammonioethyl)-2-(4-methoxycarbonylphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(7-methoxybenzofuran-2-yl)-methanolate
SMILES [?]:
C[NH+](C)CCN1C(C(=C(c2cc3cccc(c3o2)OC)[O-])C(=O)C1=O)c4ccc(cc4)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H26N2O7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-40.3961
Area:683.111
Solvation:-57.4739
Coulombic:-40.2741
Bond Count [?]
All:38
Single:27
Double:11
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:478.494
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.32
LogP (Chemaxon):-1.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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