Chemical ID: 5752532

CCOc1cc(ccc1O)C2C(=C(c3ccc(c(c3)C)OC)[O-])C(=O)C(=O)N2CCC[NH+](C)C
Chemical ID:
5752532
Name [?]:
[1-(3-dimethylammoniopropyl)-2-(3-ethoxy-4-hydroxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(c3ccc(c(c3)C)OC)[O-])C(=O)C(=O)N2CCC[NH+](C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H32N2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-43.6592
Area:704.758
Solvation:-61.2781
Coulombic:-31.6355
Bond Count [?]
All:36
Single:27
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:468.542
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.84
LogP (Chemaxon):-1.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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