N-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,2-oxazole-5-carboxamide

Formula:C17H13N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,2-oxazole-5-carboxamide is a drug-like molecule.

MolName	N-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,2-oxazole-5-carboxamide
MolecularFormula	C17H13N3O6S
Smiles	O=C(c1ccno1)NCCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=O
InChI	InChI=1S/C17H13N3O6S/c21-15(12-3-4-19-26-12)18-5-6-20-16(22)14(27-17(20)23)8-10-1-2-11-13(7-10)25-9-24-11/h1-4,7-8H,5-6,9H2,(H,18,21)
InChIK	SOPMVPQYSOPRKE-UHFFFAOYSA-N
TotalMolweight	387.371
Molweight	387.371
MonoisotopicMass	387.052507
CLogP	1.2518
CLogS	-3.856
H Acceptors	9
H Donors	1
TotalSurfaceArea	272.96
Relative PSA	0.42754
PolarSurfaceArea	136.27
Druglikeness	6.376
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - N-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,2-oxazole-5-carboxamide | 2 - N-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,2-oxazole-5-carboxamide

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