Chemical ID: 6844862

COc1cc(ccc1OCc2ccccc2)C=C3C(=O)N(C(=S)S3)CC(=O)[O-]
Chemical ID:
6844862
Name [?]:
2-[5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C=C3C(=O)N(C(=S)S3)CC(=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16NO5S2-
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-31.3172
Area:626.583
Solvation:-46.9818
Coulombic:-34.7668
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:414.477
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.0
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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