4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)butanamide

Formula:C21H17N2O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)butanamide is a drug-like molecule.

MolName	4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)butanamide
MolecularFormula	C21H17N2O4FS2
Smiles	O=C(CCCN(C(/C(/S1)=C\c(cc2)cc3c2OCO3)=O)C1=S)Nc(cc1)ccc1F
InChI	InChI=1S/C21H17FN2O4S2/c22-14-4-6-15(7-5-14)23-19(25)2-1-9-24-20(26)18(30-21(24)29)11-13-3-8-16-17(10-13)28-12-27-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)
InChIK	LFIBVJVUFJRAJB-UHFFFAOYSA-N
TotalMolweight	444.506
Molweight	444.506
MonoisotopicMass	444.061376
CLogP	3.3105
CLogS	-5.977
H Acceptors	6
H Donors	1
TotalSurfaceArea	319.58
Relative PSA	0.3335
PolarSurfaceArea	125.26
Druglikeness	2.569
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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1 - 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)butanamide | 2 - 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)butanamide

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