Chemical ID: 5701851

CCc1ccc(cc1)C2C(=C(c3ccc(cc3C)OCc4ccccc4)[O-])C(=O)C(=O)N2Cc5ccc[nH+]c5
Chemical ID:
5701851
Name [?]:
(4-benzyloxy-2-methyl-phenyl)-[2-(4-ethylphenyl)-4,5-dioxo-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCc1ccc(cc1)C2C(=C(c3ccc(cc3C)OCc4ccccc4)[O-])C(=O)C(=O)N2Cc5ccc[nH+]c5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C33H30N2O4
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:-40.1093
Area:758.951
Solvation:-59.083
Coulombic:-33.4072
Bond Count [?]
All:43
Single:28
Double:15
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:518.602
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.98
LogP (Chemaxon):4.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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