(2Z)-2-cyano-N-(2,4-dichlorophenyl)-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
Formula:C24H14N4O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-N-(2,4-dichlorophenyl)-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is a drug-like molecule.
| MolName | (2Z)-2-cyano-N-(2,4-dichlorophenyl)-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C24H14N4O2Cl2S |
| Smiles | N#C/C(/C(Nc(ccc(Cl)c1)c1Cl)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C/c1cnccc1 |
| InChI | InChI=1S/C24H14Cl2N4O2S/c25-16-8-9-20(19(26)12-16)29-22(31)18(13-27)24-30(17-6-2-1-3-7-17)23(32)21(33-24)11-15-5-4-10-28-14-15/h1-12,14H,(H,29,31) |
| InChIK | XXFJYNBJVWYXLY-UHFFFAOYSA-N |
| TotalMolweight | 493.373 |
| Molweight | 493.373 |
| MonoisotopicMass | 492.02145 |
| CLogP | 4.9256 |
| CLogS | -6.99 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352.97 |
| Relative PSA | 0.23546 |
| PolarSurfaceArea | 111.39 |
| Druglikeness | 0.64333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-cyano-N-(2,4-dichlorophenyl)-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-2-cyano-N-(2,4-dichlorophenyl)-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
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