Chemical ID: 4902768

CCOc1ccc(cc1)N2C(=O)C(=Cc3cc(ccc3OC)OC)SC2=O
Chemical ID:
4902768
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-3-(4-ethoxyphenyl)-thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3cc(ccc3OC)OC)SC2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19NO5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.61684
Area:590.847
Solvation:-6.15434
Coulombic:-48.918
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:385.435
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.31
LogP (Chemaxon):3.34

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