Chemical ID: 4147913

CCCCCCOc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O
Chemical ID:
4147913
Name [?]:
6-[5-[(4-hexoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H31NO5S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.963
Area:760.983
Solvation:-6.06153
Coulombic:-60.3066
Bond Count [?]
All:32
Single:25
Double:7
Rotors:14
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:465.628
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.49
LogP (Chemaxon):5.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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