4-[(4-chlorophenyl)sulfanylmethyl]-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]benzamide

Formula:C25H20N3O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(4-chlorophenyl)sulfanylmethyl]-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]benzamide is not a drug-like molecule.

MolName	4-[(4-chlorophenyl)sulfanylmethyl]-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]benzamide
MolecularFormula	C25H20N3O3ClS2
Smiles	O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)NCCN(C(/C(/S1)=C/c2cnccc2)=O)C1=O
InChI	InChI=1S/C25H20ClN3O3S2/c26-20-7-9-21(10-8-20)33-16-17-3-5-19(6-4-17)23(30)28-12-13-29-24(31)22(34-25(29)32)14-18-2-1-11-27-15-18/h1-11,14-15H,12-13,16H2,(H,28,30)
InChIK	JUSXCLIUXRXDDG-UHFFFAOYSA-N
TotalMolweight	510.037
Molweight	510.037
MonoisotopicMass	509.063459
CLogP	4.2426
CLogS	-6.394
H Acceptors	6
H Donors	1
TotalSurfaceArea	369.44
Relative PSA	0.2709
PolarSurfaceArea	129.97
Druglikeness	5.8318
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.67647
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - 4-[(4-chlorophenyl)sulfanylmethyl]-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]benzamide | 2 - 4-[(4-chlorophenyl)sulfanylmethyl]-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]benzamide

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