MolName : (5Z)-5-(anthracen-9-ylmethylidene)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione |
MolecularFormula : C24H20N2O4S |
Smiles : O=C(CN(C(/C(/S1)=C/c2c(cccc3)c3cc3ccccc23)=O)C1=O)N1CCOCC1 |
InChI : InChI=1S/C24H20N2O4S/c27-22(25-9-11-30-12-10-25)15-26-23(28)21(31-24(26)29)14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13-14H,9-12,15H2 |
InChIK : LGUFAAMJPMNQAJ-UHFFFAOYSA-N |
TotalMolweight : 432.499 |
Molweight : 432.499 |
MonoisotopicMass : 432.114378 |
CLogP : 3.4503 |
CLogS : -5.471 |
H Acceptors : 6 |
TotalSurfaceArea : 310.31 |
Relative PSA : 0.23754 |
PolarSurfaceArea : 92.22 |
Druglikeness : 4.3523 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : limit! methylene-thiazolidine-2,4-dione |
Shape Index : 0.48387 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 3 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 14 |
Sp3Atoms : 7 |
Symmetricatoms : 8 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |