Chemical ID: 5858553

CCN(CC)c1ccc(cc1[N+](=O)[O-])C=NNC(=O)C(C(C)C)NC(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
5858553
Name [?]:
3,4-dichloro-N-[1-[(4-diethylamino-3-nitro-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1[N+](=O)[O-])C=NNC(=O)C(C(C)C)NC(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H27Cl2N5O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:7.59865
Area:741.855
Solvation:-10.9477
Coulombic:-58.2677
Bond Count [?]
All:35
Single:25
Double:10
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:508.397
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:6.41
LogP (Chemaxon):5.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue