Chemical ID: 5858220

CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])Br)NC(=O)c2ccc(cc2Cl)Cl
Chemical ID:
5858220
Name [?]:
N-[1-[(4-bromo-3-nitro-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-2,4-dichloro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])Br)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17BrCl2N4O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:6.79702
Area:677.755
Solvation:-10.1469
Coulombic:-51.7972
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:516.172
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:6.16
LogP (Chemaxon):5.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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