| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-diphenylacetamide |
| MolecularFormula | C26H22N2O3S |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C26H22N2O3S/c29-24(23(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-16-17-28-25(30)22(32-26(28)31)18-19-10-4-1-5-11-19/h1-15,18,23H,16-17H2,(H,27,29) |
| InChIK | HPHPXSMKVGOEFC-UHFFFAOYSA-N |
| TotalMolweight | 442.538 |
| Molweight | 442.538 |
| MonoisotopicMass | 442.135113 |
| CLogP | 4.2018 |
| CLogS | -5.138 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 336.51 |
| Relative PSA | 0.21283 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | 6.6811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| Amides | 2 |
| StereoCon |
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1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-diphenylacetamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-diphenylacetamide