2-(4-benzylpiperidin-1-yl)-N-[2-[(5E)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

Formula:C26H28N3O3ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-(4-benzylpiperidin-1-yl)-N-[2-[(5E)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide is a drug-like molecule.

MolName	2-(4-benzylpiperidin-1-yl)-N-[2-[(5E)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
MolecularFormula	C26H28N3O3ClS
Smiles	O=C(CN1CCC(Cc2ccccc2)CC1)NCCN(C(/C(/S1)=C\c(cccc2)c2Cl)=O)C1=O
InChI	InChI=1S/C26H28ClN3O3S/c27-22-9-5-4-8-21(22)17-23-25(32)30(26(33)34-23)15-12-28-24(31)18-29-13-10-20(11-14-29)16-19-6-2-1-3-7-19/h1-9,17,20H,10-16,18H2,(H,28,31)
InChIK	ZHQNYRGMSLGSRG-UHFFFAOYSA-N
TotalMolweight	498.045
Molweight	498.045
MonoisotopicMass	497.153989
CLogP	3.976
CLogS	-4.964
H Acceptors	6
H Donors	1
TotalSurfaceArea	371.53
Relative PSA	0.20233
PolarSurfaceArea	95.02
Druglikeness	8.6586
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	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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

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