2-hydroxy-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide

Formula:C21H21N3O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-hydroxy-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide is a drug-like molecule.

MolName	2-hydroxy-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide
MolecularFormula	C21H21N3O4S3
Smiles	Oc(cccc1)c1C(NNC(CCCCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O)=O
InChI	InChI=1S/C21H21N3O4S3/c25-16-9-4-3-8-15(16)19(27)23-22-18(26)10-2-1-5-11-24-20(28)17(31-21(24)29)13-14-7-6-12-30-14/h3-4,6-9,12-13,25H,1-2,5,10-11H2,(H,22,26)(H,23,27)
InChIK	LBPAKZZZNNAZHA-UHFFFAOYSA-N
TotalMolweight	475.613
Molweight	475.613
MonoisotopicMass	475.069417
CLogP	2.3385
CLogS	-5.388
H Acceptors	7
H Donors	3
TotalSurfaceArea	351.99
Relative PSA	0.41064
PolarSurfaceArea	184.37
Druglikeness	-2.4169
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Amides	1
StereoCon

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1 - 2-hydroxy-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide | 2 - 2-hydroxy-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide

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