(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C18H18N2O3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C18H18N2O3ClFS
Smiles	O=C(CN(C(/C(/S1)=C/c(c(F)ccc2)c2Cl)=O)C1=O)N1CCCCCC1
InChI	InChI=1S/C18H18ClFN2O3S/c19-13-6-5-7-14(20)12(13)10-15-17(24)22(18(25)26-15)11-16(23)21-8-3-1-2-4-9-21/h5-7,10H,1-4,8-9,11H2
InChIK	HWEFECYKZCMBKI-UHFFFAOYSA-N
TotalMolweight	396.869
Molweight	396.869
MonoisotopicMass	396.071068
CLogP	3.2743
CLogS	-4.468
H Acceptors	5
TotalSurfaceArea	280.4
Relative PSA	0.22721
PolarSurfaceArea	82.99
Druglikeness	-0.6563
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	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	3
Amides	2
StereoCon

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1 - (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

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