(2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
Formula:C23H19N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is a drug-like molecule.
| MolName | (2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile |
| MolecularFormula | C23H19N3O3Cl2S |
| Smiles | N#C/C(/C(N1CCOCC1)=O)=C(\N1c2ccccc2)/SC(Cc2cccc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C23H19Cl2N3O3S/c24-18-8-4-5-15(20(18)25)13-19-22(30)28(16-6-2-1-3-7-16)23(32-19)17(14-26)21(29)27-9-11-31-12-10-27/h1-8,19H,9-13H2/t19-/m0/s1 |
| InChIK | ILMRSVSVDJWYSB-IBGZPJMESA-N |
| TotalMolweight | 488.394 |
| Molweight | 488.394 |
| MonoisotopicMass | 487.052416 |
| CLogP | 4.4539 |
| CLogS | -5.484 |
| H Acceptors | 6 |
| TotalSurfaceArea | 346.38 |
| Relative PSA | 0.2143 |
| PolarSurfaceArea | 98.94 |
| Druglikeness | 1.2234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile | 2 - (2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
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