(2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Formula:C19H12N3O2Cl2FS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C19H12N3O2Cl2FS |
| Smiles | NC(/C(/C#N)=C(/N1c(cc2)ccc2F)\SC(Cc(cc(cc2)Cl)c2Cl)C1=O)=O |
| InChI | InChI=1S/C19H12Cl2FN3O2S/c20-11-1-6-15(21)10(7-11)8-16-18(27)25(13-4-2-12(22)3-5-13)19(28-16)14(9-23)17(24)26/h1-7,16H,8H2,(H2,24,26)/t16-/m0/s1 |
| InChIK | SCWKVYRDPGOZJZ-INIZCTEOSA-N |
| TotalMolweight | 436.293 |
| Molweight | 436.293 |
| MonoisotopicMass | 435.001129 |
| CLogP | 3.9677 |
| CLogS | -6.177 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.41 |
| Relative PSA | 0.25367 |
| PolarSurfaceArea | 112.49 |
| Druglikeness | -0.097665 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
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