3-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 3-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	3-hydroxy-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide
MolecularFormula	C21H21N3O4S3
Smiles	Oc1cccc(C(NNC(CCCCCN(C(/C(/S2)=C\c3cccs3)=O)C2=S)=O)=O)c1
InChI	InChI=1S/C21H21N3O4S3/c25-15-7-4-6-14(12-15)19(27)23-22-18(26)9-2-1-3-10-24-20(28)17(31-21(24)29)13-16-8-5-11-30-16/h4-8,11-13,25H,1-3,9-10H2,(H,22,26)(H,23,27)
InChIK	VJLTUDLKZYACEH-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 - 3-hydroxy-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide | 2 - 3-hydroxy-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide

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