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

Formula:C22H15N4O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-fluorophenyl)-2-[(5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(2-fluorophenyl)-2-[(5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C22H15N4O5FS
Smiles	[O-][N+](c(cc1)ccc1-n1c(/C=C(\C(N2CC(Nc(cccc3)c3F)=O)=O)/SC2=O)ccc1)=O
InChI	InChI=1S/C22H15FN4O5S/c23-17-5-1-2-6-18(17)24-20(28)13-26-21(29)19(33-22(26)30)12-16-4-3-11-25(16)14-7-9-15(10-8-14)27(31)32/h1-12H,13H2,(H,24,28)
InChIK	GRSYMUMCFHYGKC-UHFFFAOYSA-N
TotalMolweight	466.448
Molweight	466.448
MonoisotopicMass	466.074719
CLogP	1.9528
CLogS	-7.172
H Acceptors	9
H Donors	1
TotalSurfaceArea	329.47
Relative PSA	0.33056
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	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | N-(2-fluorophenyl)-2-[(5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments