Chemical ID: 5858472

CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccccc2)NC(=O)c3ccc(cc3)Cl
Chemical ID:
5858472
Name [?]:
N-[1-[(4-benzyloxy-3-nitro-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-4-chloro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccccc2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H25ClN4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:6.33325
Area:777.235
Solvation:-13.0976
Coulombic:-59.8329
Bond Count [?]
All:38
Single:25
Double:13
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:508.953
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:6.36
LogP (Chemaxon):5.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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