Chemical ID: 3980704

Cc1ccccc1N2C(=O)C3C(NC(C3C2=O)(C)C(=O)O)c4ccc(cc4)Br
Chemical ID:
3980704
Name [?]:
2-(4-bromophenyl)-4-methyl-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)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19BrN2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:4
ZAP Information [?]
Total:9.49945
Area:554.495
Solvation:-4.36292
Coulombic:-59.6295
Bond Count [?]
All:31
Single:22
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:443.291
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.31
LogP (Chemaxon):0.89

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