(5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C23H22N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C23H22N2O4S |
| Smiles | O=C(CN(C(/C(/S1)=C/c2cc(OCc3ccccc3)ccc2)=O)C1=O)N1CCCC1 |
| InChI | InChI=1S/C23H22N2O4S/c26-21(24-11-4-5-12-24)15-25-22(27)20(30-23(25)28)14-18-9-6-10-19(13-18)29-16-17-7-2-1-3-8-17/h1-3,6-10,13-14H,4-5,11-12,15-16H2 |
| InChIK | ILJVZBYAZGUFSM-UHFFFAOYSA-N |
| TotalMolweight | 422.504 |
| Molweight | 422.504 |
| MonoisotopicMass | 422.130028 |
| CLogP | 3.2316 |
| CLogS | -4.219 |
| H Acceptors | 6 |
| TotalSurfaceArea | 314.63 |
| Relative PSA | 0.23428 |
| PolarSurfaceArea | 92.22 |
| Druglikeness | 4.9077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off