2-[(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide

Formula:C24H19N4O3BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide is not a drug-like molecule.

MolName	2-[(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
MolecularFormula	C24H19N4O3BrS
Smiles	Oc(cc1)ccc1N(C([C@H](CC(Nc(cc1)ccc1Br)=O)S1)=O)/C1=N/N=C\c1ccccc1
InChI	InChI=1S/C24H19BrN4O3S/c25-17-6-8-18(9-7-17)27-22(31)14-21-23(32)29(19-10-12-20(30)13-11-19)24(33-21)28-26-15-16-4-2-1-3-5-16/h1-13,15,21,30H,14H2,(H,27,31)/t21-/m0/s1
InChIK	KVVJBHCZWDXPFH-NRFANRHFSA-N
TotalMolweight	523.41
Molweight	523.41
MonoisotopicMass	522.036122
CLogP	6.2089
CLogS	-6.972
H Acceptors	7
H Donors	2
TotalSurfaceArea	353
Relative PSA	0.26827
PolarSurfaceArea	119.66
Druglikeness	4.862
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Amides	2
StereoCon	this enantiomer

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1 - 2-[(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide | 2 - 2-[(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide

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