Chemical ID: 5673032

CCOc1ccccc1C2C(=C(c3ccc(cc3C)OC)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
Chemical ID:
5673032
Name [?]:
[2-(2-ethoxyphenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-2-methyl-phenyl)-methanolate
SMILES [?]:
CCOc1ccccc1C2C(=C(c3ccc(cc3C)OC)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H32N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-42.423
Area:674.638
Solvation:-59.2889
Coulombic:-21.8071
Bond Count [?]
All:38
Single:29
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:480.553
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.7
LogP (Chemaxon):0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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