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

Formula:C21H20N3O3ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-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-chloro-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide
MolecularFormula	C21H20N3O3ClS3
Smiles	O=C(CCCCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)NNC(c(cccc1)c1Cl)=O
InChI	InChI=1S/C21H20ClN3O3S3/c22-16-9-4-3-8-15(16)19(27)24-23-18(26)10-2-1-5-11-25-20(28)17(31-21(25)29)13-14-7-6-12-30-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,23,26)(H,24,27)
InChIK	IXWMMBCLYPGUIS-UHFFFAOYSA-N
TotalMolweight	494.059
Molweight	494.059
MonoisotopicMass	493.035529
CLogP	3.2902
CLogS	-6.42
H Acceptors	6
H Donors	2
TotalSurfaceArea	361.06
Relative PSA	0.36404
PolarSurfaceArea	164.14
Druglikeness	-2.3816
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	7
Amides	1
StereoCon

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

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