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

Formula:C21H20N4O5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-nitro-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide is not a drug-like molecule.

MolName	2-nitro-N'-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide
MolecularFormula	C21H20N4O5S3
Smiles	[O-][N+](c(cccc1)c1C(NNC(CCCCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O)=O)=O
InChI	InChI=1S/C21H20N4O5S3/c26-18(22-23-19(27)15-8-3-4-9-16(15)25(29)30)10-2-1-5-11-24-20(28)17(33-21(24)31)13-14-7-6-12-32-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,22,26)(H,23,27)
InChIK	CIVDVMCWVVMWEC-UHFFFAOYSA-N
TotalMolweight	504.611
Molweight	504.611
MonoisotopicMass	504.059581
CLogP	1.7626
CLogS	-6.144
H Acceptors	9
H Donors	2
TotalSurfaceArea	369.31
Relative PSA	0.43828
PolarSurfaceArea	209.96
Druglikeness	-7.4399
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Amides	1
AcidicOxygens	1
StereoCon

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

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