Chemical ID: 5008554

c1cc(ccc1NC(=O)C2C3CC(C2C(=O)Nc4ccc(cc4)Br)C=C3)Br
Chemical ID:
5008554
Name [?]:
N,N'-bis(4-bromophenyl)bicyclo[2.2.1]hept-2-ene-5,6-dicarboxamide
SMILES [?]:
c1cc(ccc1NC(=O)C2C3CC(C2C(=O)Nc4ccc(cc4)Br)C=C3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18Br2N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:4
ZAP Information [?]
Total:10.3196
Area:553.069
Solvation:-3.50707
Coulombic:-41.2586
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:490.188
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.57
LogP (Chemaxon):5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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