(2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C25H19N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C25H19N3OS |
| Smiles | O=C(CS1)N(Cc2cccc3ccccc23)/C1=N\N=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C25H19N3OS/c29-24-17-30-25(27-26-15-20-11-5-9-18-7-1-3-13-22(18)20)28(24)16-21-12-6-10-19-8-2-4-14-23(19)21/h1-15H,16-17H2 |
| InChIK | KPZVITNIDHLFHL-UHFFFAOYSA-N |
| TotalMolweight | 409.512 |
| Molweight | 409.512 |
| MonoisotopicMass | 409.124882 |
| CLogP | 6.6285 |
| CLogS | -7.684 |
| H Acceptors | 4 |
| TotalSurfaceArea | 309.51 |
| Relative PSA | 0.18449 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 5.1229 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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