(5E)-3-benzyl-5-[[2-(furan-2-ylmethylsulfanyl)-5-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H16N2O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-benzyl-5-[[2-(furan-2-ylmethylsulfanyl)-5-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-benzyl-5-[[2-(furan-2-ylmethylsulfanyl)-5-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H16N2O4S3
Smiles	[O-][N+](c(cc1)cc(/C=C(\C(N2Cc3ccccc3)=O)/SC2=S)c1SCc1ccco1)=O
InChI	InChI=1S/C22H16N2O4S3/c25-21-20(31-22(29)23(21)13-15-5-2-1-3-6-15)12-16-11-17(24(26)27)8-9-19(16)30-14-18-7-4-10-28-18/h1-12H,13-14H2
InChIK	NORORAVBRWNJJD-UHFFFAOYSA-N
TotalMolweight	468.577
Molweight	468.577
MonoisotopicMass	468.027218
CLogP	3.0437
CLogS	-7.032
H Acceptors	6
TotalSurfaceArea	340.61
Relative PSA	0.36435
PolarSurfaceArea	161.96
Druglikeness	-1.1584
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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