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

Formula:C20H19N3O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-nitrophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is a drug-like molecule.

MolName	N-(2-nitrophenyl)-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
MolecularFormula	C20H19N3O4S3
Smiles	[O-][N+](c(cccc1)c1NC(CCCCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O)=O
InChI	InChI=1S/C20H19N3O4S3/c24-18(21-15-8-3-4-9-16(15)23(26)27)10-2-1-5-11-22-19(25)17(30-20(22)28)13-14-7-6-12-29-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,21,24)
InChIK	HEHIOBQBLVGJCT-UHFFFAOYSA-N
TotalMolweight	461.586
Molweight	461.586
MonoisotopicMass	461.053767
CLogP	2.9521
CLogS	-5.962
H Acceptors	7
H Donors	1
TotalSurfaceArea	340.1
Relative PSA	0.40388
PolarSurfaceArea	180.86
Druglikeness	-7.9125
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Amides	2
AcidicOxygens	1
StereoCon

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

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