2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

Formula:C21H23N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide is a drug-like molecule.

MolName	2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
MolecularFormula	C21H23N2O3FS
Smiles	O=C(C[C@@H]1[C@@H](CC2)C[C@@H]2C1)NCCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=O
InChI	InChI=1S/C21H23FN2O3S/c22-17-5-2-13(3-6-17)11-18-20(26)24(21(27)28-18)8-7-23-19(25)12-16-10-14-1-4-15(16)9-14/h2-3,5-6,11,14-16H,1,4,7-10,12H2,(H,23,25)/t14-,15+,16-/m1/s1
InChIK	ZBHKKVNWYMQFSD-OWCLPIDISA-N
TotalMolweight	402.489
Molweight	402.489
MonoisotopicMass	402.141341
CLogP	3.035
CLogS	-4.9
H Acceptors	5
H Donors	1
TotalSurfaceArea	290.14
Relative PSA	0.24685
PolarSurfaceArea	91.78
Druglikeness	3.9837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	3
Rotatable Bond	6
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	2
Amides	2
StereoCon	this enantiomer

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1 - 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide | 2 - 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

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