Chemical ID: 5858296

CCN(CC)c1ccc(cc1[N+](=O)[O-])C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2Cl)Cl
Chemical ID:
5858296
Name [?]:
2,4-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(cc2Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H27Cl2N5O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:7.17012
Area:730.943
Solvation:-11.1034
Coulombic:-57.9713
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

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Experimental Annotations

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Descriptor Annotations

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