MolName : (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[4-(2-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
MolecularFormula : C24H24N2O5S |
Smiles : O=C(CN(C(/C(/S1)=C/c(cc2)ccc2OCCc2ccccc2)=O)C1=O)N1CCOCC1 |
InChI : InChI=1S/C24H24N2O5S/c27-22(25-11-14-30-15-12-25)17-26-23(28)21(32-24(26)29)16-19-6-8-20(9-7-19)31-13-10-18-4-2-1-3-5-18/h1-9,16H,10-15,17H2 |
InChIK : MMEVKYNXNBXRFJ-UHFFFAOYSA-N |
TotalMolweight : 452.53 |
Molweight : 452.53 |
MonoisotopicMass : 452.140593 |
CLogP : 2.8397 |
CLogS : -3.712 |
H Acceptors : 7 |
TotalSurfaceArea : 338.39 |
Relative PSA : 0.24738 |
PolarSurfaceArea : 101.45 |
Druglikeness : 4.1138 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : limit! methylene-thiazolidine-2,4-dione |
Shape Index : 0.65625 |
Fragments : 1 |
Non HAtoms : 32 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 7 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 10 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |