(2E,5R)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C21H16N4O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2E,5R)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E,5R)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C21H16N4O2Cl2S |
| Smiles | O=C([C@@H](Cc(cc(cc1)Cl)c1Cl)S1)N(Cc2ccco2)/C1=N\N=C/c1ccncc1 |
| InChI | InChI=1S/C21H16Cl2N4O2S/c22-16-3-4-18(23)15(10-16)11-19-20(28)27(13-17-2-1-9-29-17)21(30-19)26-25-12-14-5-7-24-8-6-14/h1-10,12,19H,11,13H2/t19-/m1/s1 |
| InChIK | KZFZECYINIBJBC-LJQANCHMSA-N |
| TotalMolweight | 459.356 |
| Molweight | 459.356 |
| MonoisotopicMass | 458.0371 |
| CLogP | 5.7535 |
| CLogS | -6.162 |
| H Acceptors | 6 |
| TotalSurfaceArea | 331.86 |
| Relative PSA | 0.24763 |
| PolarSurfaceArea | 96.36 |
| Druglikeness | 7.0102 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2E,5R)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E,5R)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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