(5Z)-3-(naphthalen-2-ylmethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C28H21NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(naphthalen-2-ylmethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-3-(naphthalen-2-ylmethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C28H21NO3S |
| Smiles | O=C(/C(/S1)=C/c2cc(OCc3ccccc3)ccc2)N(Cc2cc3ccccc3cc2)C1=O |
| InChI | InChI=1S/C28H21NO3S/c30-27-26(17-21-9-6-12-25(16-21)32-19-20-7-2-1-3-8-20)33-28(31)29(27)18-22-13-14-23-10-4-5-11-24(23)15-22/h1-17H,18-19H2 |
| InChIK | TUQSBFZMOUKCEV-UHFFFAOYSA-N |
| TotalMolweight | 451.545 |
| Molweight | 451.545 |
| MonoisotopicMass | 451.124214 |
| CLogP | 5.7029 |
| CLogS | -7.057 |
| H Acceptors | 4 |
| TotalSurfaceArea | 339.4 |
| Relative PSA | 0.1683 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 4.1425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(naphthalen-2-ylmethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(naphthalen-2-ylmethyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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