Chemical ID: 4350800

COc1cccc(c1)N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S
Chemical ID:
4350800
Name [?]:
5-(benzo[1,3]dioxol-5-ylmethylene)-3-(3-methoxyphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1cccc(c1)N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13NO4S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.94927
Area:546.557
Solvation:-4.71466
Coulombic:-42.0884
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:371.432
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.07
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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