(4E,5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

Formula:C20H13N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E,5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E,5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-phenyl-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C20H13N2O3BrS
Smiles	O/C(/c(cc1)ccc1Br)=C(\[C@@H](c1ccccc1)N(C1=O)c2nccs2)/C1=O
InChI	InChI=1S/C20H13BrN2O3S/c21-14-8-6-13(7-9-14)17(24)15-16(12-4-2-1-3-5-12)23(19(26)18(15)25)20-22-10-11-27-20/h1-11,16,24H/t16-/m1/s1
InChIK	LNGHUJPBBNLKOQ-MRXNPFEDSA-N
TotalMolweight	441.304
Molweight	441.304
MonoisotopicMass	439.983024
CLogP	3.7848
CLogS	-4.56
H Acceptors	5
H Donors	1
TotalSurfaceArea	280.18
Relative PSA	0.26433
PolarSurfaceArea	98.74
Druglikeness	-1.6078
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon	this enantiomer

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