Chemical ID: 5651259

Cc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OCC(C)C)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
Chemical ID:
5651259
Name [?]:
[4,5-dioxo-2-(p-tolyl)-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-(4-isobutoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
Cc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OCC(C)C)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H30N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-42.1179
Area:703.104
Solvation:-59.6955
Coulombic:-31.9998
Bond Count [?]
All:38
Single:26
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:470.56
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):3.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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