(2Z)-2-cyano-2-[(5R)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
Formula:C25H17N3O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-cyano-2-[(5R)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-phenylacetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[(5R)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-phenylacetamide |
| MolecularFormula | C25H17N3O2Cl2S |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C(\N1c2ccccc2)/S[C@H](Cc(cc(cc2)Cl)c2Cl)C1=O |
| InChI | InChI=1S/C25H17Cl2N3O2S/c26-17-11-12-21(27)16(13-17)14-22-24(32)30(19-9-5-2-6-10-19)25(33-22)20(15-28)23(31)29-18-7-3-1-4-8-18/h1-13,22H,14H2,(H,29,31)/t22-/m1/s1 |
| InChIK | JKFCNINQRRNUCM-JOCHJYFZSA-N |
| TotalMolweight | 494.401 |
| Molweight | 494.401 |
| MonoisotopicMass | 493.041851 |
| CLogP | 5.9271 |
| CLogS | -7.286 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 355.76 |
| Relative PSA | 0.20278 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.2571 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45455 |
| 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 | this enantiomer |
Click to Load Molecule:
1 - (2Z)-2-cyano-2-[(5R)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-phenylacetamide | 2 - (2Z)-2-cyano-2-[(5R)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
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