(2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-fluorophenyl)acetamide
Formula:C25H17N3O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-fluorophenyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-fluorophenyl)acetamide |
| MolecularFormula | C25H17N3O2ClFS |
| Smiles | N#C/C(/C(Nc(cccc1)c1F)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C25H17ClFN3O2S/c26-17-12-10-16(11-13-17)14-22-24(32)30(18-6-2-1-3-7-18)25(33-22)19(15-28)23(31)29-21-9-5-4-8-20(21)27/h1-13,22H,14H2,(H,29,31)/t22-/m0/s1 |
| InChIK | VQJHFDFBOORJGU-QFIPXVFZSA-N |
| TotalMolweight | 477.946 |
| Molweight | 477.946 |
| MonoisotopicMass | 477.071402 |
| CLogP | 5.4219 |
| CLogS | -6.864 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 346.69 |
| Relative PSA | 0.20808 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -0.082852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-fluorophenyl)acetamide | 2 - (2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-fluorophenyl)acetamide
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