Chemical ID: 5743401

Cc1ccccc1COc2ccc(cc2)C(=C3C(N(C(=O)C3=O)CCOC)c4cc[nH+]cc4)[O-]
Chemical ID:
5743401
Name [?]:
[1-(2-methoxyethyl)-4,5-dioxo-2-(1H-pyridin-4-yl)pyrrolidin-3-ylidene]-[4-(o-tolylmethoxy)phenyl]-methanolate
SMILES [?]:
Cc1ccccc1COc2ccc(cc2)C(=C3C(N(C(=O)C3=O)CCOC)c4cc[nH+]cc4)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-39.7177
Area:659.694
Solvation:-56.2101
Coulombic:-43.6765
Bond Count [?]
All:37
Single:25
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:458.506
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.17
LogP (Chemaxon):1.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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