Chemical ID: 4449961

CCOC(=O)c1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3OCC(=O)O)S2
Chemical ID:
4449961
Name [?]:
2-[2-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
CCOC(=O)c1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3OCC(=O)O)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N2O6S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.3662
Area:664.686
Solvation:-5.25094
Coulombic:-82.6229
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:426.444
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.75
LogP (Chemaxon):3.29

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