Chemical ID: 5987952

CC(C)(C)CC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)Br
Chemical ID:
5987952
Name [?]:
1-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3,3-dimethyl-butan-1-one
SMILES [?]:
CC(C)(C)CC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H24BrN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.1411
Area:578.455
Solvation:-2.32025
Coulombic:-29.391
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.317
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.97
LogP (Chemaxon):4.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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