Chemical ID: 5704723

CCOC(=O)c1c(c2ccccc2o1)CSc3nnc(o3)c4ccc(c(c4)OC)OC
Chemical ID:
5704723
Name [?]:
ethyl 3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2ccccc2o1)CSc3nnc(o3)c4ccc(c(c4)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20N2O6S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.742
Area:679.527
Solvation:-6.2462
Coulombic:-58.7477
Bond Count [?]
All:34
Single:24
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:440.47
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.98
LogP (Chemaxon):3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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