(2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
Formula:C17H13N3OBrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H13N3OBrFS |
| Smiles | O=C(CS1)N(Cc(cc2)ccc2F)/C1=N\N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C17H13BrFN3OS/c18-14-5-1-12(2-6-14)9-20-21-17-22(16(23)11-24-17)10-13-3-7-15(19)8-4-13/h1-9H,10-11H2 |
| InChIK | UEUMMIGASYBCBA-UHFFFAOYSA-N |
| TotalMolweight | 406.278 |
| Molweight | 406.278 |
| MonoisotopicMass | 404.994671 |
| CLogP | 5.0657 |
| CLogS | -5.62 |
| H Acceptors | 4 |
| TotalSurfaceArea | 265.29 |
| Relative PSA | 0.21524 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 1.9929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one | 2 - (2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
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