(2Z)-2-cyano-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
Formula:C19H13N3O2Cl2S
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]acetamide is a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C19H13N3O2Cl2S |
| Smiles | NC(/C(/C#N)=C(/N1c2ccccc2)\SC(Cc2cccc(Cl)c2Cl)C1=O)=O |
| InChI | InChI=1S/C19H13Cl2N3O2S/c20-14-8-4-5-11(16(14)21)9-15-18(26)24(12-6-2-1-3-7-12)19(27-15)13(10-22)17(23)25/h1-8,15H,9H2,(H2,23,25)/t15-/m0/s1 |
| InChIK | BKYCXKLVBOELFU-HNNXBMFYSA-N |
| TotalMolweight | 418.303 |
| Molweight | 418.303 |
| MonoisotopicMass | 417.010551 |
| CLogP | 3.8669 |
| CLogS | -5.863 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.06 |
| Relative PSA | 0.25916 |
| PolarSurfaceArea | 112.49 |
| Druglikeness | 1.2423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| 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]acetamide | 2 - (2Z)-2-cyano-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
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