(2E,5R)-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C21H17N4O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5R)-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E,5R)-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C21H17N4O2FS |
| Smiles | O=C([C@@H](Cc(cc1)ccc1F)S1)N(Cc2ccco2)/C1=N\N=C/c1ccncc1 |
| InChI | InChI=1S/C21H17FN4O2S/c22-17-5-3-15(4-6-17)12-19-20(27)26(14-18-2-1-11-28-18)21(29-19)25-24-13-16-7-9-23-10-8-16/h1-11,13,19H,12,14H2/t19-/m1/s1 |
| InChIK | FAZZTBPKOCMPIP-LJQANCHMSA-N |
| TotalMolweight | 408.456 |
| Molweight | 408.456 |
| MonoisotopicMass | 408.105624 |
| CLogP | 4.6423 |
| CLogS | -5.004 |
| H Acceptors | 6 |
| TotalSurfaceArea | 307.37 |
| Relative PSA | 0.26737 |
| PolarSurfaceArea | 96.36 |
| Druglikeness | 5.6213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2E,5R)-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E,5R)-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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