(5E)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C27H19NO3S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5E)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C27H19NO3S |
| Smiles | O=C(/C(/SC1=O)=C\c2cc(OCc3cccc4ccccc34)ccc2)N1c1ccccc1 |
| InChI | InChI=1S/C27H19NO3S/c29-26-25(32-27(30)28(26)22-12-2-1-3-13-22)17-19-8-6-14-23(16-19)31-18-21-11-7-10-20-9-4-5-15-24(20)21/h1-17H,18H2 |
| InChIK | FYVBKZHJRJACNV-UHFFFAOYSA-N |
| TotalMolweight | 437.518 |
| Molweight | 437.518 |
| MonoisotopicMass | 437.108564 |
| CLogP | 5.78 |
| CLogS | -7.579 |
| H Acceptors | 4 |
| TotalSurfaceArea | 325.64 |
| Relative PSA | 0.17541 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 2.9763 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
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