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

Formula:C24H14N3O7ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-thiophen-2-ylpyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-thiophen-2-ylpyrrolidine-2,3-dione
MolecularFormula	C24H14N3O7ClS3
Smiles	[O-][N+](c(cc1)ccc1S(c1cnc(N(C(c2cccs2)/C(/C2=O)=C(/c(cc3)ccc3Cl)\O)C2=O)s1)(=O)=O)=O
InChI	InChI=1S/C24H14ClN3O7S3/c25-14-5-3-13(4-6-14)21(29)19-20(17-2-1-11-36-17)27(23(31)22(19)30)24-26-12-18(37-24)38(34,35)16-9-7-15(8-10-16)28(32)33/h1-12,20,29H/t20-/m0/s1
InChIK	ZDCQCUGCJMBKKY-FQEVSTJZSA-N
TotalMolweight	588.04
Molweight	588.04
MonoisotopicMass	586.968239
CLogP	3.5205
CLogS	-6.485
H Acceptors	10
H Donors	1
TotalSurfaceArea	384.92
Relative PSA	0.39858
PolarSurfaceArea	215.32
Druglikeness	-6.7686
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	14
Electronegative Atoms	14
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	racemate

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

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