Chemical ID: 5857394

CCN(CC)c1ccc(cc1[N+](=O)[O-])C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)Cl
Chemical ID:
5857394
Name [?]:
4-chloro-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(cc2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H28ClN5O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:7.04203
Area:715.633
Solvation:-10.8488
Coulombic:-58.5048
Bond Count [?]
All:34
Single:24
Double:10
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:473.952
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:5.79
LogP (Chemaxon):5.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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