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C22H20N2O5S | Cheminformatics

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

Molecular Formula : C22H20N2O5S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

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

MolecularFormula : C22H20N2O5S

Smiles : O=C(CN(C(/C(/S1)=C/c2cc(Oc3ccccc3)ccc2)=O)C1=O)N1CCOCC1

InChI : InChI=1S/C22H20N2O5S/c25-20(23-9-11-28-12-10-23)15-24-21(26)19(30-22(24)27)14-16-5-4-8-18(13-16)29-17-6-2-1-3-7-17/h1-8,13-14H,9-12,15H2

InChIK : LVGXTDTZHRBLPD-UHFFFAOYSA-N

TotalMolweight : 424.476

Molweight : 424.476

MonoisotopicMass : 424.109293

CLogP : 2.4571

CLogS : -4.556

H Acceptors : 7

TotalSurfaceArea : 310.87

Relative PSA : 0.26928

PolarSurfaceArea : 101.45

Druglikeness : 4.3523

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! methylene-thiazolidine-2,4-dione

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 2

StereoCon :

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