Chemical ID: 4427341

COc1cc(ccc1OCC(=O)OC)C=C2C(=O)N(C(=O)S2)c3ccccc3Cl
Chemical ID:
4427341
Name [?]:
methyl 2-[4-[[3-(2-chlorophenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetate
SMILES [?]:
COc1cc(ccc1OCC(=O)OC)C=C2C(=O)N(C(=O)S2)c3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16ClNO6S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.54643
Area:631.903
Solvation:-7.25114
Coulombic:-61.2125
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:433.863
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.03
LogP (Chemaxon):3.34

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