Chemical ID: 5670993

COc1ccccc1C2C(=C(c3ccc(cc3)Br)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
Chemical ID:
5670993
Name [?]:
(4-bromophenyl)-[2-(2-methoxyphenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
COc1ccccc1C2C(=C(c3ccc(cc3)Br)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25BrN2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-39.4767
Area:633.967
Solvation:-55.3258
Coulombic:-19.2353
Bond Count [?]
All:35
Single:26
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:501.37
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.72
LogP (Chemaxon):0.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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