(2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
Formula:C25H16N3O2ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C25H16N3O2ClF2S |
| Smiles | N#C/C(/C(Nc(cc1)ccc1F)=O)=C(\N1c(cc2)ccc2F)/SC(Cc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C25H16ClF2N3O2S/c26-21-4-2-1-3-15(21)13-22-24(33)31(19-11-7-17(28)8-12-19)25(34-22)20(14-29)23(32)30-18-9-5-16(27)6-10-18/h1-12,22H,13H2,(H,30,32)/t22-/m0/s1 |
| InChIK | CQAFRFACGSHYDG-QFIPXVFZSA-N |
| TotalMolweight | 495.936 |
| Molweight | 495.936 |
| MonoisotopicMass | 495.06198 |
| CLogP | 5.5227 |
| CLogS | -7.178 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 353.04 |
| Relative PSA | 0.20434 |
| 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 | 0.47059 |
| 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-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide | 2 - (2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
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