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C21H18N3O4F3S | Cheminformatics

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

Molecular 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 :

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