(5E)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C28H25N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C28H25N3O3S |
| Smiles | O=C(CN(C(/C(/S1)=C\c(cc2)ccc2-c2ccccc2)=O)C1=O)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C28H25N3O3S/c32-26(30-17-15-29(16-18-30)24-9-5-2-6-10-24)20-31-27(33)25(35-28(31)34)19-21-11-13-23(14-12-21)22-7-3-1-4-8-22/h1-14,19H,15-18,20H2 |
| InChIK | OOGIQQZUVHAQDN-UHFFFAOYSA-N |
| TotalMolweight | 483.591 |
| Molweight | 483.591 |
| MonoisotopicMass | 483.161662 |
| CLogP | 4.3253 |
| CLogS | -5.692 |
| H Acceptors | 6 |
| TotalSurfaceArea | 360.93 |
| Relative PSA | 0.18635 |
| PolarSurfaceArea | 86.23 |
| Druglikeness | 8.0085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off