Chemical ID: 6740239

COC(=O)c1ccc2c(c1)C(=O)C(=Cc3ccc(cc3)SC)O2
Chemical ID:
6740239
Name [?]:
methyl 2-[(4-methylsulfanylphenyl)methylene]-3-oxo-benzofuran-5-carboxylate
SMILES [?]:
COC(=O)c1ccc2c(c1)C(=O)C(=Cc3ccc(cc3)SC)O2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14O4S
All Atoms:37
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3137
Area:535.086
Solvation:-3.06343
Coulombic:-38.923
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:326.367
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.31
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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