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 : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |