Chemical ID: 4849645

CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cccc(c3)C(F)(F)F
Chemical ID:
4849645
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-[3-(trifluoromethyl)phenyl]amino-thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cccc(c3)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15F3N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.56644
Area:589.665
Solvation:-5.17519
Coulombic:-70.8941
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:408.395
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.21
LogP (Chemaxon):4.89

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