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C22H13N2O4F3S | Cheminformatics
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N-(2,4-difluorophenyl)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Molecular Formula : C22H13N2O4F3S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N-(2,4-difluorophenyl)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName : N-(2,4-difluorophenyl)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

MolecularFormula : C22H13N2O4F3S

Smiles : O=C(CN(C(/C(/S1)=C/c2ccc(-c(cc3)ccc3F)o2)=O)C1=O)Nc(ccc(F)c1)c1F

InChI : InChI=1S/C22H13F3N2O4S/c23-13-3-1-12(2-4-13)18-8-6-15(31-18)10-19-21(29)27(22(30)32-19)11-20(28)26-17-7-5-14(24)9-16(17)25/h1-10H,11H2,(H,26,28)

InChIK : NZJJHDLGYPYVHY-UHFFFAOYSA-N

TotalMolweight : 458.415

Molweight : 458.415

MonoisotopicMass : 458.054812

CLogP : 3.776

CLogS : -6.463

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 318.99

Relative PSA : 0.26875

PolarSurfaceArea : 104.92

Druglikeness : 4.6318

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.625

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 2

StereoCon :

Click to Load Molecule:
1 - N-(2,4-difluorophenyl)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
2 - N-(2,4-difluorophenyl)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
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