Chemical ID: 5857564

CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])N2CCCC2)NC(=O)c3cccc(c3)Cl
Chemical ID:
5857564
Name [?]:
3-chloro-N-[2-methyl-1-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])N2CCCC2)NC(=O)c3cccc(c3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26ClN5O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:6.78726
Area:715.228
Solvation:-11.0934
Coulombic:-58.3047
Bond Count [?]
All:35
Single:25
Double:10
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:471.937
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:5.45
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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