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

Formula:C18H16N4O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-(4-nitrophenyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanehydrazide is a drug-like molecule.

MolName	N'-(4-nitrophenyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanehydrazide
MolecularFormula	C18H16N4O4S3
Smiles	[O-][N+](c(cc1)ccc1NNC(CCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O)=O
InChI	InChI=1S/C18H16N4O4S3/c23-16(20-19-12-5-7-13(8-6-12)22(25)26)4-1-9-21-17(24)15(29-18(21)27)11-14-3-2-10-28-14/h2-3,5-8,10-11,19H,1,4,9H2,(H,20,23)
InChIK	YRSWHLJPFMNFOJ-UHFFFAOYSA-N
TotalMolweight	448.547
Molweight	448.547
MonoisotopicMass	448.033366
CLogP	2.4931
CLogS	-5.032
H Acceptors	8
H Donors	2
TotalSurfaceArea	324.04
Relative PSA	0.45926
PolarSurfaceArea	192.89
Druglikeness	-0.10989
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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