(2E,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
Formula:C22H17N3O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one |
| MolecularFormula | C22H17N3O2ClFS |
| Smiles | O=C([C@@H](Cc(cc1)ccc1F)S1)N(Cc2ccco2)/C1=N\N=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H17ClFN3O2S/c23-17-7-3-16(4-8-17)13-25-26-22-27(14-19-2-1-11-29-19)21(28)20(30-22)12-15-5-9-18(24)10-6-15/h1-11,13,20H,12,14H2/t20-/m0/s1 |
| InChIK | DCUGRKVJPDVMFU-FQEVSTJZSA-N |
| TotalMolweight | 441.913 |
| Molweight | 441.913 |
| MonoisotopicMass | 441.071402 |
| CLogP | 6.2492 |
| CLogS | -6.535 |
| H Acceptors | 5 |
| TotalSurfaceArea | 324.03 |
| Relative PSA | 0.21976 |
| PolarSurfaceArea | 83.47 |
| Druglikeness | 5.6702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| 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 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2E,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one | 2 - (2E,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
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