Chemical ID: 5738139

CCOc1cc(ccc1O)C2C(=C(c3ccc(cc3C)OC)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
Chemical ID:
5738139
Name [?]:
[2-(3-ethoxy-4-hydroxy-phenyl)-1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-2-methyl-phenyl)-methanolate
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(c3ccc(cc3C)OC)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H34N2O7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-44.2433
Area:711.08
Solvation:-62.0203
Coulombic:-37.2212
Bond Count [?]
All:40
Single:31
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:510.579
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.65
LogP (Chemaxon):-0.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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