Chemical ID: 3980696

Cc1ccccc1N2C(=O)C3C(NC(C3C2=O)(C)C(=O)O)c4cccc5c4cccc5
Chemical ID:
3980696
Name [?]:
4-methyl-2-(1-naphthyl)-7-(o-tolyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
Cc1ccccc1N2C(=O)C3C(NC(C3C2=O)(C)C(=O)O)c4cccc5c4cccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:4
ZAP Information [?]
Total:9.57841
Area:558.863
Solvation:-4.39316
Coulombic:-60.6895
Bond Count [?]
All:35
Single:24
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:414.453
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.78
LogP (Chemaxon):1.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue