(2E,5S)-5-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
Formula:C21H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5S)-5-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E,5S)-5-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C21H17N3O2S |
| Smiles | O=C([C@H](Cc1ccccc1)S/C1=N/N=C\c2ccco2)N1c1ccccc1 |
| InChI | InChI=1S/C21H17N3O2S/c25-20-19(14-16-8-3-1-4-9-16)27-21(23-22-15-18-12-7-13-26-18)24(20)17-10-5-2-6-11-17/h1-13,15,19H,14H2/t19-/m0/s1 |
| InChIK | WWJBBAVZMXDREP-IBGZPJMESA-N |
| TotalMolweight | 375.451 |
| Molweight | 375.451 |
| MonoisotopicMass | 375.104147 |
| CLogP | 5.6195 |
| CLogS | -6.007 |
| H Acceptors | 5 |
| TotalSurfaceArea | 288.5 |
| Relative PSA | 0.24683 |
| PolarSurfaceArea | 83.47 |
| Druglikeness | 6.0151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (2E,5S)-5-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one | 2 - (2E,5S)-5-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
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