(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Formula:C17H15N2O5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H15N2O5BrS
Smiles	O=C(CN(C(/C(/S1)=C/c(cc2OCOc2c2)c2Br)=O)C1=O)N1CCCC1
InChI	InChI=1S/C17H15BrN2O5S/c18-11-7-13-12(24-9-25-13)5-10(11)6-14-16(22)20(17(23)26-14)8-15(21)19-3-1-2-4-19/h5-7H,1-4,8-9H2
InChIK	LLOOXKBCBJWALY-UHFFFAOYSA-N
TotalMolweight	439.285
Molweight	439.285
MonoisotopicMass	437.988504
CLogP	2.7201
CLogS	-4.423
H Acceptors	7
TotalSurfaceArea	270
Relative PSA	0.31004
PolarSurfaceArea	101.45
Druglikeness	3.2617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon

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1 - (5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

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