Chemical ID: 5523202

CCOc1cc(ccc1OCc2ccccc2)C=C3C(=O)N=C(S3)Nc4ccc(cc4)C
Chemical ID:
5523202
Name [?]:
5-[(4-benzyloxy-3-ethoxy-phenyl)methylene]-2-(p-tolylamino)thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C=C3C(=O)N=C(S3)Nc4ccc(cc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H24N2O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.9593
Area:703.329
Solvation:-5.62394
Coulombic:-45.6115
Bond Count [?]
All:35
Single:23
Double:12
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:444.546
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.49
LogP (Chemaxon):6.28

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