Chemical ID: 5429666

c1ccc(cc1)c2csc(n2)NC(=O)CN3C(=O)c4ccc(cc4C3=O)[N+](=O)[O-]
Chemical ID:
5429666
Name [?]:
2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)CN3C(=O)c4ccc(cc4C3=O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H12N4O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:4.95618
Area:616.315
Solvation:-10.4517
Coulombic:-61.5731
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:408.389
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.48
LogP (Chemaxon):3.0

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