Chemical ID: 4858235

COc1cc(cc(c1OC)OC)C=C2C(=O)N(C(=S)S2)c3ccc4c(c3)OCO4
Chemical ID:
4858235
Name [?]:
3-benzo[1,3]dioxol-5-yl-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)N(C(=S)S2)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17NO6S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.41689
Area:603.601
Solvation:-7.67313
Coulombic:-55.5513
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:431.484
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.49
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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