Chemical ID: 5996918

COc1cccc(c1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4)Br
Chemical ID:
5996918
Name [?]:
(4-bromophenyl)-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1)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:10.8204
Area:591.475
Solvation:-3.96648
Coulombic:-38.2068
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

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Experimental Annotations

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Descriptor Annotations

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