Chemical ID: 5857568

CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])N(C)C)NC(=O)c2ccc(cc2Cl)Cl
Chemical ID:
5857568
Name [?]:
2,4-dichloro-N-[1-[(4-dimethylamino-3-nitro-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])N(C)C)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23Cl2N5O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:6.22068
Area:704.348
Solvation:-11.388
Coulombic:-57.5067
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:480.344
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:5.57
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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