(2Z)-N-(2-chlorophenyl)-2-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Formula:C25H15N3O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-N-(2-chlorophenyl)-2-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is not a drug-like molecule.
| MolName | (2Z)-N-(2-chlorophenyl)-2-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide |
| MolecularFormula | C25H15N3O2Cl2S |
| Smiles | N#C/C(/C(Nc(cccc1)c1Cl)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C25H15Cl2N3O2S/c26-19-11-5-4-8-16(19)14-22-24(32)30(17-9-2-1-3-10-17)25(33-22)18(15-28)23(31)29-21-13-7-6-12-20(21)27/h1-14H,(H,29,31) |
| InChIK | WUCMPZFJQIEVFN-UHFFFAOYSA-N |
| TotalMolweight | 492.385 |
| Molweight | 492.385 |
| MonoisotopicMass | 491.026201 |
| CLogP | 5.9265 |
| CLogS | -7.785 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.21 |
| Relative PSA | 0.20366 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 0.64333 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (2Z)-N-(2-chlorophenyl)-2-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-N-(2-chlorophenyl)-2-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
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