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

Formula:C18H19N2O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C18H19N2O4BrS
Smiles	Oc(cc1)c(/C=C(/C(N2CC(N3CCCCCC3)=O)=O)\SC2=O)cc1Br
InChI	InChI=1S/C18H19BrN2O4S/c19-13-5-6-14(22)12(9-13)10-15-17(24)21(18(25)26-15)11-16(23)20-7-3-1-2-4-8-20/h5-6,9-10,22H,1-4,7-8,11H2
InChIK	VRVFPPDTFQYUHF-UHFFFAOYSA-N
TotalMolweight	439.329
Molweight	439.329
MonoisotopicMass	438.024889
CLogP	2.947
CLogS	-3.956
H Acceptors	6
H Donors	1
TotalSurfaceArea	283.61
Relative PSA	0.27083
PolarSurfaceArea	103.22
Druglikeness	-1.1452
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	9
Symmetricatoms	3
Amides	2
StereoCon

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

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