Chemical ID: 5996716

COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4cc(cc(c4)Cl)Cl
Chemical ID:
5996716
Name [?]:
(3,5-dichlorophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4cc(cc(c4)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17Cl2N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.7273
Area:628.14
Solvation:-3.97621
Coulombic:-38.1047
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.273
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.19
LogP (Chemaxon):4.27

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Experimental Annotations

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Descriptor Annotations

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