(2Z)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]-N-phenylacetamide
Formula:C23H19N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]-N-phenylacetamide is a drug-like molecule.
| MolName | (2Z)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]-N-phenylacetamide |
| MolecularFormula | C23H19N5O2S |
| Smiles | O=C(/C=C(/C(N1Cc2cnccc2)=O)\S/C1=N\Cc1cnccc1)Nc1ccccc1 |
| InChI | InChI=1S/C23H19N5O2S/c29-21(27-19-8-2-1-3-9-19)12-20-22(30)28(16-18-7-5-11-25-14-18)23(31-20)26-15-17-6-4-10-24-13-17/h1-14H,15-16H2,(H,27,29) |
| InChIK | FJJJPXRPQYMUBE-UHFFFAOYSA-N |
| TotalMolweight | 429.503 |
| Molweight | 429.503 |
| MonoisotopicMass | 429.125945 |
| CLogP | 1.9728 |
| CLogS | -3.645 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 326.75 |
| Relative PSA | 0.28165 |
| PolarSurfaceArea | 112.85 |
| Druglikeness | 3.7227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (2Z)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]-N-phenylacetamide | 2 - (2Z)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]-N-phenylacetamide
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