N-(1-adamantyl)-2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Formula:C22H23N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:low N-(1-adamantyl)-2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(1-adamantyl)-2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C22H23N2O3BrS
Smiles	O=C(CN(C(/C(/S1)=C/c(cc2)ccc2Br)=O)C1=O)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C22H23BrN2O3S/c23-17-3-1-13(2-4-17)8-18-20(27)25(21(28)29-18)12-19(26)24-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,8,14-16H,5-7,9-12H2,(H,24,26)
InChIK	JRYQWAUCENFTNY-UHFFFAOYSA-N
TotalMolweight	475.406
Molweight	475.406
MonoisotopicMass	474.061274
CLogP	3.6264
CLogS	-5.723
H Acceptors	5
H Donors	1
TotalSurfaceArea	299.33
Relative PSA	0.23927
PolarSurfaceArea	91.78
Druglikeness	4.3068
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	8
Amides	2
StereoCon

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