Chemical ID: 4546798

Cc1ccccc1N2C(C3C(O2)C(=O)N(C3=O)c4cccc(c4)[N+](=O)[O-])c5ccc(cc5)OC
Chemical ID:
4546798
Name [?]:
8-(4-methoxyphenyl)-3-(3-nitrophenyl)-7-(o-tolyl)-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
SMILES [?]:
Cc1ccccc1N2C(C3C(O2)C(=O)N(C3=O)c4cccc(c4)[N+](=O)[O-])c5ccc(cc5)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21N3O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:4
ZAP Information [?]
Total:4.27841
Area:637.689
Solvation:-11.6638
Coulombic:-49.6404
Bond Count [?]
All:38
Single:26
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:459.451
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:3.19
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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