(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C18H18N2O4Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName	(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C18H18N2O4Br2S
Smiles	Oc(c(/C=C(/C(N1CC(N2CCCCCC2)=O)=O)\SC1=O)cc(Br)c1)c1Br
InChI	InChI=1S/C18H18Br2N2O4S/c19-12-7-11(16(24)13(20)9-12)8-14-17(25)22(18(26)27-14)10-15(23)21-5-3-1-2-4-6-21/h7-9,24H,1-6,10H2
InChIK	YYCPLCDZRDDKEV-UHFFFAOYSA-N
TotalMolweight	518.225
Molweight	518.225
MonoisotopicMass	515.9354
CLogP	3.6722
CLogS	-4.79
H Acceptors	6
H Donors	1
TotalSurfaceArea	302.24
Relative PSA	0.25414
PolarSurfaceArea	103.22
Druglikeness	-1.1452
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	3
Amides	2
StereoCon

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1 - (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

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