Chemical ID: 5765077

CCOc1ccc(cc1O)C=NNC(=O)C2CCN(CC2)Cc3ccc(cc3)Br
Chemical ID:
5765077
Name [?]:
1-[(4-bromophenyl)methyl]-N-[(4-ethoxy-3-hydroxy-phenyl)methyleneamino]piperidine-4-carboxamide
SMILES [?]:
CCOc1ccc(cc1O)C=NNC(=O)C2CCN(CC2)Cc3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26BrN3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.74636
Area:651.418
Solvation:-6.5391
Coulombic:-46.4892
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:460.364
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.78
LogP (Chemaxon):4.14

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Experimental Annotations

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Descriptor Annotations

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