Chemical ID: 5662875

Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cccc(c4)N(=O)=O)[O-]
Chemical ID:
5662875
Name [?]:
(4-isobutoxy-3-methyl-phenyl)-[2-(3-nitrophenyl)-4,5-dioxo-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cccc(c4)N(=O)=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H27N3O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-48.0453
Area:653.083
Solvation:-64.3724
Coulombic:-42.782
Bond Count [?]
All:40
Single:26
Double:14
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:501.531
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.12
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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