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

Formula:C18H18N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C18H18N2O3Cl2S
Smiles	O=C(CN(C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)=O)C1=O)N1CCCCCC1
InChI	InChI=1S/C18H18Cl2N2O3S/c19-13-6-5-12(14(20)10-13)9-15-17(24)22(18(25)26-15)11-16(23)21-7-3-1-2-4-8-21/h5-6,9-10H,1-4,7-8,11H2
InChIK	VSXCEKBOQJCLRF-UHFFFAOYSA-N
TotalMolweight	413.324
Molweight	413.324
MonoisotopicMass	412.041517
CLogP	3.7795
CLogS	-4.89
H Acceptors	5
TotalSurfaceArea	289.47
Relative PSA	0.22009
PolarSurfaceArea	82.99
Druglikeness	0.6837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57692
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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