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

Formula:C18H15N3O5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-hydroxy-5-nitrophenyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide is a drug-like molecule.

MolName	N-(2-hydroxy-5-nitrophenyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
MolecularFormula	C18H15N3O5S3
Smiles	[O-][N+](c(cc1)cc(NC(CCCN(C(/C(/S2)=C/c3cccs3)=O)C2=S)=O)c1O)=O
InChI	InChI=1S/C18H15N3O5S3/c22-14-6-5-11(21(25)26)9-13(14)19-16(23)4-1-7-20-17(24)15(29-18(20)27)10-12-3-2-8-28-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,19,23)
InChIK	VASQJKRDMQTYOT-UHFFFAOYSA-N
TotalMolweight	449.531
Molweight	449.531
MonoisotopicMass	449.017382
CLogP	1.6976
CLogS	-5.126
H Acceptors	8
H Donors	2
TotalSurfaceArea	318.93
Relative PSA	0.47176
PolarSurfaceArea	201.09
Druglikeness	-0.55779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	2
AcidicOxygens	1
StereoCon

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

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