N-(2,4-difluorophenyl)-2-[(5Z)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Formula:C22H14N4O5F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2,4-difluorophenyl)-2-[(5Z)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(2,4-difluorophenyl)-2-[(5Z)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C22H14N4O5F2S
Smiles	[O-][N+](c1cccc(-n2c(/C=C(/C(N3CC(Nc(ccc(F)c4)c4F)=O)=O)\SC3=O)ccc2)c1)=O
InChI	InChI=1S/C22H14F2N4O5S/c23-13-6-7-18(17(24)9-13)25-20(29)12-27-21(30)19(34-22(27)31)11-15-5-2-8-26(15)14-3-1-4-16(10-14)28(32)33/h1-11H,12H2,(H,25,29)
InChIK	LMLJFWDYELRGIN-UHFFFAOYSA-N
TotalMolweight	484.438
Molweight	484.438
MonoisotopicMass	484.065297
CLogP	2.0536
CLogS	-7.486
H Acceptors	9
H Donors	1
TotalSurfaceArea	335.82
Relative PSA	0.32431
PolarSurfaceArea	142.53
Druglikeness	-0.98471
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-(2,4-difluorophenyl)-2-[(5Z)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(2,4-difluorophenyl)-2-[(5Z)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

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