Chemical ID: 5858481

CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])Br)NC(=O)c2cccc(c2)Cl
Chemical ID:
5858481
Name [?]:
N-[1-[(4-bromo-3-nitro-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-3-chloro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])Br)NC(=O)c2cccc(c2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18BrClN4O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:6.54069
Area:653.279
Solvation:-9.79128
Coulombic:-52.4589
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:481.727
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:5.54
LogP (Chemaxon):4.84

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Descriptor Annotations

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