Chemical ID: 4523405

CCOc1cc(ccc1OCc2ccccc2)C=C3C(=O)N(C(=S)S3)CC(=O)O
Chemical ID:
4523405
Name [?]:
2-[5-[(4-benzyloxy-3-ethoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C=C3C(=O)N(C(=S)S3)CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19NO5S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.0236
Area:655.965
Solvation:-6.37557
Coulombic:-60.5642
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:429.511
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.9
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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