Chemical ID: 4206780

CCOc1cc(ccc1OCC(=O)O)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl
Chemical ID:
4206780
Name [?]:
2-[4-[[3-(4-chlorophenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]-2-ethoxy-phenoxy]acetic acid
SMILES [?]:
CCOc1cc(ccc1OCC(=O)O)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16ClNO6S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.95574
Area:649.784
Solvation:-7.28886
Coulombic:-68.677
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:433.863
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.13
LogP (Chemaxon):3.65

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Experimental Annotations

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Descriptor Annotations

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