Chemical ID: 5702979

C[NH+](C)CCCN1C(C(=C(c2cccc(c2)OC)[O-])C(=O)C1=O)c3ccc(cc3)Br
Chemical ID:
5702979
Name [?]:
[2-(4-bromophenyl)-1-(3-dimethylammoniopropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(3-methoxyphenyl)-methanolate
SMILES [?]:
C[NH+](C)CCCN1C(C(=C(c2cccc(c2)OC)[O-])C(=O)C1=O)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25BrN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:-43.6081
Area:624.267
Solvation:-59.2148
Coulombic:-9.25366
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:473.36
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.48
LogP (Chemaxon):-0.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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