Chemical ID: 4372742

Cc1ccc(cc1[N+](=O)[O-])C(=O)COC(=O)c2cccc(c2)N3C(=O)C4CC=CC(C4C3=O)C
Chemical ID:
4372742
Name [?]:
[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])C(=O)COC(=O)c2cccc(c2)N3C(=O)C4CC=CC(C4C3=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N2O7
All Atoms:34
Heavy Atoms:34
Chiral Atoms:3
ZAP Information [?]
Total:6.75811
Area:690.826
Solvation:-10.5125
Coulombic:-63.8423
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:462.451
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:3.37
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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