Chemical ID: 4540759

CC1=CCC2C(C1)C(=O)N(C2=O)c3cccc(c3)C(=O)OCC(=O)c4ccc(cc4)Br
Chemical ID:
4540759
Name [?]:
[2-(4-bromophenyl)-2-oxo-ethyl] 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
SMILES [?]:
CC1=CCC2C(C1)C(=O)N(C2=O)c3cccc(c3)C(=O)OCC(=O)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H20BrNO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:11.6614
Area:655.676
Solvation:-4.73052
Coulombic:-53.003
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:482.323
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.73
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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