Chemical ID: 5714070

COc1cccc(c1)C2C(=C(c3ccc(cc3)Br)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
Chemical ID:
5714070
Name [?]:
(4-bromophenyl)-[2-(3-methoxyphenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
COc1cccc(c1)C2C(=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:-42.2229
Area:647.339
Solvation:-58.4064
Coulombic:-15.9532
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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