(2Z)-2-cyano-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
Formula:C27H21N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide |
| MolecularFormula | C27H21N3O2Cl2S |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C(\N1c2ccccc2)/SC(Cc2cccc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C27H21Cl2N3O2S/c28-22-13-7-10-19(24(22)29)16-23-26(34)32(20-11-5-2-6-12-20)27(35-23)21(17-30)25(33)31-15-14-18-8-3-1-4-9-18/h1-13,23H,14-16H2,(H,31,33)/t23-/m0/s1 |
| InChIK | CGVYTGAQEVVDFD-QHCPKHFHSA-N |
| TotalMolweight | 522.455 |
| Molweight | 522.455 |
| MonoisotopicMass | 521.073151 |
| CLogP | 6.0666 |
| CLogS | -7.214 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 383.28 |
| Relative PSA | 0.18822 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.7598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-cyano-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide | 2 - (2Z)-2-cyano-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
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