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C25H23N3O4S | Cheminformatics

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

Molecular Formula : C25H23N3O4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

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

MolecularFormula : C25H23N3O4S

Smiles : O=C(CN(C(/C(/S1)=C/c2cn(Cc3ccccc3)c3c2cccc3)=O)C1=O)N1CCOCC1

InChI : InChI=1S/C25H23N3O4S/c29-23(26-10-12-32-13-11-26)17-28-24(30)22(33-25(28)31)14-19-16-27(15-18-6-2-1-3-7-18)21-9-5-4-8-20(19)21/h1-9,14,16H,10-13,15,17H2

InChIK : UBEUIGSDVCQSAA-UHFFFAOYSA-N

TotalMolweight : 461.541

Molweight : 461.541

MonoisotopicMass : 461.140927

CLogP : 2.5912

CLogS : -3.237

H Acceptors : 7

TotalSurfaceArea : 338.43

Relative PSA : 0.2381

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 : 0.54545

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

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


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