(2Z)-N-benzyl-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Formula:C26H20N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-N-benzyl-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is not a drug-like molecule.
| MolName | (2Z)-N-benzyl-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide |
| MolecularFormula | C26H20N3O2ClS |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C26H20ClN3O2S/c27-20-13-11-18(12-14-20)15-23-25(32)30(21-9-5-2-6-10-21)26(33-23)22(16-28)24(31)29-17-19-7-3-1-4-8-19/h1-14,23H,15,17H2,(H,29,31)/t23-/m0/s1 |
| InChIK | DNTAOGUSSXZDSR-QHCPKHFHSA-N |
| TotalMolweight | 473.983 |
| Molweight | 473.983 |
| MonoisotopicMass | 473.096474 |
| CLogP | 5.0305 |
| CLogS | -6.366 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.1 |
| Relative PSA | 0.20373 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-N-benzyl-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-N-benzyl-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
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