Chemical ID: 4423730

COC(=O)COc1ccc(cc1)C=C2C(=O)N(C(=O)S2)c3ccccc3Cl
Chemical ID:
4423730
Name [?]:
methyl 2-[4-[[3-(2-chlorophenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenoxy]acetate
SMILES [?]:
COC(=O)COc1ccc(cc1)C=C2C(=O)N(C(=O)S2)c3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H14ClNO5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.73152
Area:596.024
Solvation:-5.16909
Coulombic:-55.1117
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:403.837
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.38
LogP (Chemaxon):3.59

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