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

Formula:C20H19N2O2ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-chlorophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is a drug-like molecule.

MolName	N-(2-chlorophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
MolecularFormula	C20H19N2O2ClS3
Smiles	O=C(CCCCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)Nc(cccc1)c1Cl
InChI	InChI=1S/C20H19ClN2O2S3/c21-15-8-3-4-9-16(15)22-18(24)10-2-1-5-11-23-19(25)17(28-20(23)26)13-14-7-6-12-27-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,22,24)
InChIK	QBQCQTAWOGUTKS-UHFFFAOYSA-N
TotalMolweight	451.034
Molweight	451.034
MonoisotopicMass	450.029715
CLogP	4.4797
CLogS	-6.238
H Acceptors	4
H Donors	1
TotalSurfaceArea	331.85
Relative PSA	0.32225
PolarSurfaceArea	135.04
Druglikeness	-2.8593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
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-(2-chlorophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide | 2 - N-(2-chlorophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

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