Chemical ID: 4125543

CCCCOc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O
Chemical ID:
4125543
Name [?]:
6-[5-[(4-butoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid
SMILES [?]:
CCCCOc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H27NO5S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6314
Area:707.394
Solvation:-6.05341
Coulombic:-59.6997
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:437.575
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.35
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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