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C24H21N3O4S | Cheminformatics
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(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Molecular Formula : C24H21N3O4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName : (5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

MolecularFormula : C24H21N3O4S

Smiles : O=C(Cn1c(cccc2)c2c(/C=C(/C(N2c3ccccc3)=O)\SC2=O)c1)N1CCOCC1

InChI : InChI=1S/C24H21N3O4S/c28-22(25-10-12-31-13-11-25)16-26-15-17(19-8-4-5-9-20(19)26)14-21-23(29)27(24(30)32-21)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2

InChIK : WSBBSLWWLHGAER-UHFFFAOYSA-N

TotalMolweight : 447.514

Molweight : 447.514

MonoisotopicMass : 447.125277

CLogP : 2.5786

CLogS : -3.997

H Acceptors : 7

TotalSurfaceArea : 324.67

Relative PSA : 0.24819

PolarSurfaceArea : 97.15

Druglikeness : 4.5051

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 : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

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