Chemical ID: 5857603

CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)c2ccc(cc2)Cl
Chemical ID:
5857603
Name [?]:
4-chloro-N-[1-[(4-methoxy-3-nitro-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)c2ccc(cc2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21ClN4O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:4.04198
Area:664.396
Solvation:-12.5679
Coulombic:-58.2543
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:432.857
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:4.65
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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