Chemical ID: 5764688

c1cc(ccc1CN2CCC(CC2)C(=O)NN=Cc3ccc(cc3)Br)[N+](=O)[O-]
Chemical ID:
5764688
Name [?]:
N-[(4-bromophenyl)methyleneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
c1cc(ccc1CN2CCC(CC2)C(=O)NN=Cc3ccc(cc3)Br)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrN4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.39324
Area:629.894
Solvation:-9.3541
Coulombic:-35.7558
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:445.31
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.61
LogP (Chemaxon):4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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