N-(2-hydroxy-4-nitrophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

Formula:C20H19N3O5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-hydroxy-4-nitrophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is a drug-like molecule.

MolName	N-(2-hydroxy-4-nitrophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
MolecularFormula	C20H19N3O5S3
Smiles	[O-][N+](c(cc1)cc(O)c1NC(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O)=O
InChI	InChI=1S/C20H19N3O5S3/c24-16-11-13(23(27)28)7-8-15(16)21-18(25)6-2-1-3-9-22-19(26)17(31-20(22)29)12-14-5-4-10-30-14/h4-5,7-8,10-12,24H,1-3,6,9H2,(H,21,25)
InChIK	QTTRILPZEADEEV-UHFFFAOYSA-N
TotalMolweight	477.585
Molweight	477.585
MonoisotopicMass	477.048682
CLogP	2.6064
CLogS	-5.666
H Acceptors	8
H Donors	2
TotalSurfaceArea	346.45
Relative PSA	0.43429
PolarSurfaceArea	201.09
Druglikeness	-7.8878
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Amides	2
AcidicOxygens	1
StereoCon

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1 - N-(2-hydroxy-4-nitrophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide | 2 - N-(2-hydroxy-4-nitrophenyl)-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

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