(2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide
Formula:C25H16N3O2Cl3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)acetamide |
| MolecularFormula | C25H16N3O2Cl3S |
| Smiles | N#C/C(/C(Nc(cc(cc1)Cl)c1Cl)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C25H16Cl3N3O2S/c26-16-8-6-15(7-9-16)12-22-24(33)31(18-4-2-1-3-5-18)25(34-22)19(14-29)23(32)30-21-13-17(27)10-11-20(21)28/h1-11,13,22H,12H2,(H,30,32)/t22-/m1/s1 |
| InChIK | ROEDQMWMNRAZCM-JOCHJYFZSA-N |
| TotalMolweight | 528.846 |
| Molweight | 528.846 |
| MonoisotopicMass | 527.002878 |
| CLogP | 6.5331 |
| CLogS | -8.022 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 371.18 |
| Relative PSA | 0.19435 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.2571 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| 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-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide | 2 - (2Z)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide
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