Chemical ID: 5718842

Cc1cc(ccc1OCc2ccccc2)C(=C3C(N(C(=O)C3=O)CC[NH+](C)C)c4ccc(c(c4)OC)O)[O-]
Chemical ID:
5718842
Name [?]:
(4-benzyloxy-3-methyl-phenyl)-[1-(2-dimethylammonioethyl)-2-(4-hydroxy-3-methoxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
Cc1cc(ccc1OCc2ccccc2)C(=C3C(N(C(=O)C3=O)CC[NH+](C)C)c4ccc(c(c4)OC)O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H32N2O6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:-41.3322
Area:722.347
Solvation:-59.3908
Coulombic:-34.9797
Bond Count [?]
All:41
Single:29
Double:12
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:516.585
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.77
LogP (Chemaxon):0.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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