Chemical ID: 4109750

COc1ccccc1N=C2NC(=O)C(=Cc3ccc4c(c3)OCO4)S2
Chemical ID:
4109750
Name [?]:
5-(benzo[1,3]dioxol-5-ylmethylene)-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccccc1N=C2NC(=O)C(=Cc3ccc4c(c3)OCO4)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.4771
Area:539.759
Solvation:-5.01687
Coulombic:-52.1525
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:354.381
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.76
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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