N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-morpholin-4-yl-3-nitrobenzamide

Formula:C21H20N4O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-morpholin-4-yl-3-nitrobenzamide is a drug-like molecule.

MolName	N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-morpholin-4-yl-3-nitrobenzamide
MolecularFormula	C21H20N4O6S2
Smiles	[O-][N+](c(cc(cc1)C(NCCN(C(/C(/S2)=C/c3cccs3)=O)C2=O)=O)c1N1CCOCC1)=O
InChI	InChI=1S/C21H20N4O6S2/c26-19(14-3-4-16(17(12-14)25(29)30)23-7-9-31-10-8-23)22-5-6-24-20(27)18(33-21(24)28)13-15-2-1-11-32-15/h1-4,11-13H,5-10H2,(H,22,26)
InChIK	UUDIBIZHJQJKIJ-UHFFFAOYSA-N
TotalMolweight	488.544
Molweight	488.544
MonoisotopicMass	488.082426
CLogP	1.2901
CLogS	-4.597
H Acceptors	10
H Donors	1
TotalSurfaceArea	345.7
Relative PSA	0.39326
PolarSurfaceArea	178.31
Druglikeness	0.50975
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	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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1 - N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-morpholin-4-yl-3-nitrobenzamide | 2 - N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-4-morpholin-4-yl-3-nitrobenzamide

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