N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

Formula:C24H24N4O3ClFS Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is not a drug-like molecule.

MolName	N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
MolecularFormula	C24H24N4O3ClFS
Smiles	O=C(CN(CC1)CCN1c(cc1)ccc1F)NCCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=O
InChI	InChI=1S/C24H24ClFN4O3S/c25-20-4-2-1-3-17(20)15-21-23(32)30(24(33)34-21)10-9-27-22(31)16-28-11-13-29(14-12-28)19-7-5-18(26)6-8-19/h1-8,15H,9-14,16H2,(H,27,31)
InChIK	YUMXUJARVUERMM-UHFFFAOYSA-N
TotalMolweight	502.997
Molweight	502.997
MonoisotopicMass	502.124166
CLogP	2.8062
CLogS	-4.441
H Acceptors	7
H Donors	1
TotalSurfaceArea	361.92
Relative PSA	0.21751
PolarSurfaceArea	98.26
Druglikeness	7.2003
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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1 - N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide | 2 - N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

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