2-[(2E,5R)-3-(4-hydroxyphenyl)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetate

Formula:C20H16N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E,5R)-3-(4-hydroxyphenyl)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetate is a drug-like molecule.

MolName	2-[(2E,5R)-3-(4-hydroxyphenyl)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetate
MolecularFormula	C20H16N3O4S
Smiles	[O-]C(C[C@H](C(N1c(cc2)ccc2O)=O)S/C1=N/N=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C20H17N3O4S/c24-16-10-8-15(9-11-16)23-19(27)17(13-18(25)26)28-20(23)22-21-12-4-7-14-5-2-1-3-6-14/h1-12,17,24H,13H2,(H,25,26)/p-1/t17-/m1/s1
InChIK	UBMDNGZRWUVUFR-QGZVFWFLSA-M
TotalMolweight	394.43
Molweight	394.43
MonoisotopicMass	394.086152
CLogP	1.7636
CLogS	-4.931
H Acceptors	7
H Donors	1
TotalSurfaceArea	297.18
Relative PSA	0.32815
PolarSurfaceArea	130.69
Druglikeness	6.2079
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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1 - 2-[(2E,5R)-3-(4-hydroxyphenyl)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetate | 2 - 2-[(2E,5R)-3-(4-hydroxyphenyl)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetate

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