N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-difluorobenzamide

Formula:C19H14N2O3F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-difluorobenzamide is a drug-like molecule.

MolNameN-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-difluorobenzamide
MolecularFormulaC19H14N2O3F2S
SmilesO=C(c1cc(F)cc(F)c1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O
InChIInChI=1S/C19H14F2N2O3S/c20-14-9-13(10-15(21)11-14)17(24)22-6-7-23-18(25)16(27-19(23)26)8-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,22,24)
InChIKHEVBSLIPZPIVHC-UHFFFAOYSA-N
TotalMolweight388.393
Molweight388.393
MonoisotopicMass388.069319
CLogP2.8777
CLogS-4.652
H Acceptors5
H Donors1
TotalSurfaceArea276.95
Relative PSA0.2586
PolarSurfaceArea91.78
Druglikeness4.3876
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms5
Amides2
StereoCon

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