(2Z)-2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
Formula:C25H16N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide is not a drug-like molecule.
| MolName | (2Z)-2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide |
| MolecularFormula | C25H16N3O2ClS |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H16ClN3O2S/c26-18-13-11-17(12-14-18)15-22-24(31)29(20-9-5-2-6-10-20)25(32-22)21(16-27)23(30)28-19-7-3-1-4-8-19/h1-15H,(H,28,30) |
| InChIK | DZRIBCNCVNQADV-UHFFFAOYSA-N |
| TotalMolweight | 457.94 |
| Molweight | 457.94 |
| MonoisotopicMass | 457.065174 |
| CLogP | 5.3205 |
| CLogS | -7.049 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.79 |
| Relative PSA | 0.21293 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 0.64333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (2Z)-2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide | 2 - (2Z)-2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
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