Chemical ID: 4546963

CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)c2ccc(cc2Cl)Cl
Chemical ID:
4546963
Name [?]:
2,4-dichloro-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(cc2Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20Cl2N4O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:4.40288
Area:690.146
Solvation:-12.8508
Coulombic:-57.5586
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:467.302
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:5.28
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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