(2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-fluorophenyl)acetamide
Formula:C25H16N3O2Cl2FS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-fluorophenyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C25H16N3O2Cl2FS |
| Smiles | N#C/C(/C(Nc(cc1)ccc1F)=O)=C(\N1c2ccccc2)/SC(Cc(cc(cc2)Cl)c2Cl)C1=O |
| InChI | InChI=1S/C25H16Cl2FN3O2S/c26-16-6-11-21(27)15(12-16)13-22-24(33)31(19-4-2-1-3-5-19)25(34-22)20(14-29)23(32)30-18-9-7-17(28)8-10-18/h1-12,22H,13H2,(H,30,32)/t22-/m0/s1 |
| InChIK | GFUQBYFPLGYBAN-QFIPXVFZSA-N |
| TotalMolweight | 512.391 |
| Molweight | 512.391 |
| MonoisotopicMass | 511.032429 |
| CLogP | 6.0279 |
| CLogS | -7.6 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 362.11 |
| Relative PSA | 0.19922 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -0.082852 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-fluorophenyl)acetamide | 2 - (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-fluorophenyl)acetamide
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