Chemical ID: 5701905

CCOc1ccc(cc1OC)C2C(=C(c3ccc(c(c3)C)OC)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
Chemical ID:
5701905
Name [?]:
[2-(4-ethoxy-3-methoxy-phenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(c3ccc(c(c3)C)OC)[O-])C(=O)C(=O)N2CC[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:-43.5182
Area:737.158
Solvation:-61.9471
Coulombic:-28.5796
Bond Count [?]
All:40
Single:31
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:510.579
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.13
LogP (Chemaxon):0.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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