Chemical ID: 5675094

CCOc1ccc(cc1)C2C(=C(c3ccc(cc3)C)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
Chemical ID:
5675094
Name [?]:
[2-(4-ethoxyphenyl)-4,5-dioxo-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-(p-tolyl)methanolate
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(c3ccc(cc3)C)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H24N2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-43.966
Area:638.258
Solvation:-59.9225
Coulombic:-31.0462
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:428.48
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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