(4E)-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione

Formula:C26H15N3O7Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione
MolecularFormula	C26H15N3O7Cl2S2
Smiles	[O-][N+](c(cc1)ccc1S(c1cnc(N(C(/C(/C2=O)=C(/c(cc3)ccc3Cl)\O)c3cccc(Cl)c3)C2=O)s1)(=O)=O)=O
InChI	InChI=1S/C26H15Cl2N3O7S2/c27-16-6-4-14(5-7-16)23(32)21-22(15-2-1-3-17(28)12-15)30(25(34)24(21)33)26-29-13-20(39-26)40(37,38)19-10-8-18(9-11-19)31(35)36/h1-13,22,32H/t22-/m1/s1
InChIK	MNQKQHMEYBXAKP-JOCHJYFZSA-N
TotalMolweight	616.457
Molweight	616.457
MonoisotopicMass	614.972846
CLogP	4.2599
CLogS	-7.211
H Acceptors	10
H Donors	1
TotalSurfaceArea	404.4
Relative PSA	0.32903
PolarSurfaceArea	187.08
Druglikeness	-8.0313
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.475
Fragments	1
Non HAtoms	40
NonCHAtoms	14
Electronegative Atoms	14
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	racemate

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1 - (4E)-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione | 2 - (4E)-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione

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