Chemical ID: 5996702

COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4)Br
Chemical ID:
5996702
Name [?]:
(4-bromophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18BrN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.8603
Area:592.367
Solvation:-3.9489
Coulombic:-38.2728
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:428.279
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):4.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue