Chemical ID: 5661510

Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cccnc4)[O-]
Chemical ID:
5661510
Name [?]:
[4,5-dioxo-1-(1H-pyridin-5-ylmethyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-isobutoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
Cc1cc(ccc1OCC(C)C)C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cccnc4)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H27N3O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-41.3071
Area:641.958
Solvation:-57.356
Coulombic:-38.2414
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:457.521
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.98
LogP (Chemaxon):1.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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