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

Formula:C20H18N2O2Cl2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3,4-dichlorophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is not a drug-like molecule.

MolName	N-(3,4-dichlorophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
MolecularFormula	C20H18N2O2Cl2S3
Smiles	O=C(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)Nc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C20H18Cl2N2O2S3/c21-15-8-7-13(11-16(15)22)23-18(25)6-2-1-3-9-24-19(26)17(29-20(24)27)12-14-5-4-10-28-14/h4-5,7-8,10-12H,1-3,6,9H2,(H,23,25)
InChIK	HCEQGHDZPWHFAJ-UHFFFAOYSA-N
TotalMolweight	485.479
Molweight	485.479
MonoisotopicMass	483.990742
CLogP	5.0857
CLogS	-6.974
H Acceptors	4
H Donors	1
TotalSurfaceArea	347.27
Relative PSA	0.30794
PolarSurfaceArea	135.04
Druglikeness	-2.8593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
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 - N-(3,4-dichlorophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide | 2 - N-(3,4-dichlorophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

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