Chemical ID: 4449167

CCOc1cc(ccc1OCC(=O)OC)C=C2C(=O)NC(=Nc3cccc(c3)C)S2
Chemical ID:
4449167
Name [?]:
methyl 2-[2-ethoxy-4-[[2-(m-tolylimino)-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]acetate
SMILES [?]:
CCOc1cc(ccc1OCC(=O)OC)C=C2C(=O)NC(=Nc3cccc(c3)C)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22N2O5S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.1497
Area:675.322
Solvation:-6.73338
Coulombic:-61.5572
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:426.487
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.22
LogP (Chemaxon):4.23

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