MolName : (5Z)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione |
MolecularFormula : C22H25N3O7S |
Smiles : O=C(CN(C(/C(/S1)=C/c(cc2)ccc2OCC(N2CCOCC2)=O)=O)C1=O)N1CCOCC1 |
InChI : InChI=1S/C22H25N3O7S/c26-19(23-5-9-30-10-6-23)14-25-21(28)18(33-22(25)29)13-16-1-3-17(4-2-16)32-15-20(27)24-7-11-31-12-8-24/h1-4,13H,5-12,14-15H2 |
InChIK : RAQKGSHLUUIDBJ-UHFFFAOYSA-N |
TotalMolweight : 475.521 |
Molweight : 475.521 |
MonoisotopicMass : 475.141322 |
CLogP : 0.3107 |
CLogS : -1.749 |
H Acceptors : 10 |
TotalSurfaceArea : 344.46 |
Relative PSA : 0.32021 |
PolarSurfaceArea : 130.99 |
Druglikeness : 4.5097 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : limit! methylene-thiazolidine-2,4-dione |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 33 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 6 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 14 |
Symmetricatoms : 6 |
Amides : 3 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |