Chemical ID: 5658654

CCOc1ccc(cc1OC)C2C(=C(c3ccc(cc3)C)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
Chemical ID:
5658654
Name [?]:
[2-(4-ethoxy-3-methoxy-phenyl)-4,5-dioxo-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-(p-tolyl)methanolate
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(c3ccc(cc3)C)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-45.0492
Area:667.618
Solvation:-61.7397
Coulombic:-37.5068
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:458.506
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.43
LogP (Chemaxon):2.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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