6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,4,5-trichlorophenyl)hexanamide

Formula:C20H17N2O2Cl3S3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,4,5-trichlorophenyl)hexanamide is not a drug-like molecule.

MolName	6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,4,5-trichlorophenyl)hexanamide
MolecularFormula	C20H17N2O2Cl3S3
Smiles	O=C(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)Nc(c(Cl)c1)cc(Cl)c1Cl
InChI	InChI=1S/C20H17Cl3N2O2S3/c21-13-10-15(23)16(11-14(13)22)24-18(26)6-2-1-3-7-25-19(27)17(30-20(25)28)9-12-5-4-8-29-12/h4-5,8-11H,1-3,6-7H2,(H,24,26)
InChIK	IRFKVKHXHUDLJI-UHFFFAOYSA-N
TotalMolweight	519.924
Molweight	519.924
MonoisotopicMass	517.951769
CLogP	5.6917
CLogS	-7.71
H Acceptors	4
H Donors	1
TotalSurfaceArea	362.69
Relative PSA	0.29485
PolarSurfaceArea	135.04
Druglikeness	-2.8593
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	2
StereoCon

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1 - 6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,4,5-trichlorophenyl)hexanamide | 2 - 6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,4,5-trichlorophenyl)hexanamide

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