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

Formula:C18H19N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C18H19N2O3BrS
Smiles	O=C(CN(C(/C(/S1)=C/c(cc2)ccc2Br)=O)C1=O)N1CCCCCC1
InChI	InChI=1S/C18H19BrN2O3S/c19-14-7-5-13(6-8-14)11-15-17(23)21(18(24)25-15)12-16(22)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10,12H2
InChIK	QALQGYBBOCZELQ-UHFFFAOYSA-N
TotalMolweight	423.33
Molweight	423.33
MonoisotopicMass	422.029974
CLogP	3.2927
CLogS	-4.252
H Acceptors	5
TotalSurfaceArea	277.26
Relative PSA	0.22978
PolarSurfaceArea	82.99
Druglikeness	-1.1416
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	5
Amides	2
StereoCon

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