2-[[(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile

Formula:C16H9N2O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
MolecularFormula	C16H9N2O2ClS2
Smiles	N#Cc1c(CN(C(/C(/S2)=C\c(s3)ccc3Cl)=O)C2=O)cccc1
InChI	InChI=1S/C16H9ClN2O2S2/c17-14-6-5-12(22-14)7-13-15(20)19(16(21)23-13)9-11-4-2-1-3-10(11)8-18/h1-7H,9H2
InChIK	FEZRXOWJLHQAKV-UHFFFAOYSA-N
TotalMolweight	360.844
Molweight	360.844
MonoisotopicMass	359.979395
CLogP	3.6733
CLogS	-5.646
H Acceptors	4
TotalSurfaceArea	254.35
Relative PSA	0.31862
PolarSurfaceArea	114.71
Druglikeness	0.27935
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - 2-[[(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile | 2 - 2-[[(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile

Request More Details | 2-[[(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments