N-(3-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-(3-chlorophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is a drug-like molecule.

MolName	N-(3-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)Nc1cccc(Cl)c1
InChI	InChI=1S/C20H19ClN2O2S3/c21-14-6-4-7-15(12-14)22-18(24)9-2-1-3-10-23-19(25)17(28-20(23)26)13-16-8-5-11-27-16/h4-8,11-13H,1-3,9-10H2,(H,22,24)
InChIK	MNLYJNXIJINBBR-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	high
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-(3-chlorophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide | 2 - N-(3-chlorophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

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