(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Formula:C20H17N2O4BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C20H17N2O4BrS
Smiles	O=C(CN(C(/C(/S1)=C/c2ccc(-c3cccc(Br)c3)o2)=O)C1=O)N1CCCC1
InChI	InChI=1S/C20H17BrN2O4S/c21-14-5-3-4-13(10-14)16-7-6-15(27-16)11-17-19(25)23(20(26)28-17)12-18(24)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9,12H2
InChIK	CGXPZXAGSSZTHF-UHFFFAOYSA-N
TotalMolweight	461.335
Molweight	461.335
MonoisotopicMass	460.009239
CLogP	3.5476
CLogS	-5.172
H Acceptors	6
TotalSurfaceArea	299.19
Relative PSA	0.2601
PolarSurfaceArea	96.13
Druglikeness	4.0829
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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

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