Chemical ID: 5663549

C[NH+](C)CCCN1C(C(=C(c2ccc(cc2)Br)[O-])C(=O)C1=O)c3cc(ccc3OC)OC
Chemical ID:
5663549
Name [?]:
(4-bromophenyl)-[2-(2,5-dimethoxyphenyl)-1-(3-dimethylammoniopropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
C[NH+](C)CCCN1C(C(=C(c2ccc(cc2)Br)[O-])C(=O)C1=O)c3cc(ccc3OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27BrN2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-44.8048
Area:630.83
Solvation:-60.5756
Coulombic:-15.1111
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:503.386
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.39
LogP (Chemaxon):-1.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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