N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Formula:C19H14N2O6S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C19H14N2O6S
Smiles	Oc1ccc(/C=C(/C(N2CC(Nc(cc3)cc4c3OCO4)=O)=O)\SC2=O)cc1
InChI	InChI=1S/C19H14N2O6S/c22-13-4-1-11(2-5-13)7-16-18(24)21(19(25)28-16)9-17(23)20-12-3-6-14-15(8-12)27-10-26-14/h1-8,22H,9-10H2,(H,20,23)
InChIK	DCMFKIOSDWRDQX-UHFFFAOYSA-N
TotalMolweight	398.394
Molweight	398.394
MonoisotopicMass	398.057258
CLogP	2.3004
CLogS	-4.476
H Acceptors	8
H Donors	2
TotalSurfaceArea	277.1
Relative PSA	0.37791
PolarSurfaceArea	130.47
Druglikeness	5.1064
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

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