(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
Formula:C22H18N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one |
| MolecularFormula | C22H18N3O2FS |
| Smiles | O=C([C@@H](Cc(cc1)ccc1F)S1)N(Cc2ccco2)/C1=N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H18FN3O2S/c23-18-10-8-16(9-11-18)13-20-21(27)26(15-19-7-4-12-28-19)22(29-20)25-24-14-17-5-2-1-3-6-17/h1-12,14,20H,13,15H2/t20-/m1/s1 |
| InChIK | ONNIODYAAGZTQN-HXUWFJFHSA-N |
| TotalMolweight | 407.468 |
| Molweight | 407.468 |
| MonoisotopicMass | 407.110375 |
| CLogP | 5.6432 |
| CLogS | -5.799 |
| H Acceptors | 5 |
| TotalSurfaceArea | 308.61 |
| Relative PSA | 0.23074 |
| PolarSurfaceArea | 83.47 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| 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 |
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1 - (2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one | 2 - (2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
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