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C20H15N2O5FS | Cheminformatics
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2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

Molecular Formula : C20H15N2O5FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide is a drug-like molecule.

MolName : 2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

MolecularFormula : C20H15N2O5FS

Smiles : O=C(CN(C(/C(/S1)=C\c(cc2)cc3c2OCCO3)=O)C1=O)Nc(cccc1)c1F

InChI : InChI=1S/C20H15FN2O5S/c21-13-3-1-2-4-14(13)22-18(24)11-23-19(25)17(29-20(23)26)10-12-5-6-15-16(9-12)28-8-7-27-15/h1-6,9-10H,7-8,11H2,(H,22,24)

InChIK : HUQCAPOIDXILAR-UHFFFAOYSA-N

TotalMolweight : 414.412

Molweight : 414.412

MonoisotopicMass : 414.068571

CLogP : 2.6143

CLogS : -4.557

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 290.86

Relative PSA : 0.315

PolarSurfaceArea : 110.24

Druglikeness : -3.2673

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! methylene-thiazolidine-2,4-dione

Shape Index : 0.58621

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Amides : 2

StereoCon :

Click to Load Molecule:
1 - 2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
2 - 2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
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Request More Details | 2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide


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