(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C21H18N3O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C21H18N3O4F3S
Smiles	O=C(CN(C(/C(/S1)=C/c2cccn2-c2cc(C(F)(F)F)ccc2)=O)C1=O)N1CCOCC1
InChI	InChI=1S/C21H18F3N3O4S/c22-21(23,24)14-3-1-4-15(11-14)26-6-2-5-16(26)12-17-19(29)27(20(30)32-17)13-18(28)25-7-9-31-10-8-25/h1-6,11-12H,7-10,13H2
InChIK	CEPSQDDQYMPGRU-UHFFFAOYSA-N
TotalMolweight	465.451
Molweight	465.451
MonoisotopicMass	465.097011
CLogP	2.1487
CLogS	-5.374
H Acceptors	7
TotalSurfaceArea	319.53
Relative PSA	0.25218
PolarSurfaceArea	97.15
Druglikeness	-2.6087
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Request More Details | (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments