Chemical ID: 4316586

CCOc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)C(=O)O)SC2=S
Chemical ID:
4316586
Name [?]:
4-[[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)C(=O)O)SC2=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15NO4S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9595
Area:589.107
Solvation:-3.76816
Coulombic:-54.2327
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:385.459
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.35
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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