(2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
Formula:C24H16N3O3Cl2FS
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]-N-(furan-2-ylmethyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C24H16N3O3Cl2FS |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc(cc(cc2)Cl)c2Cl)C1=O |
| InChI | InChI=1S/C24H16Cl2FN3O3S/c25-15-3-8-20(26)14(10-15)11-21-23(32)30(17-6-4-16(27)5-7-17)24(34-21)19(12-28)22(31)29-13-18-2-1-9-33-18/h1-10,21H,11,13H2,(H,29,31)/t21-/m0/s1 |
| InChIK | DNCHLNOAKYPPKO-NRFANRHFSA-N |
| TotalMolweight | 516.379 |
| Molweight | 516.379 |
| MonoisotopicMass | 515.027344 |
| CLogP | 4.926 |
| CLogS | -7.098 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 365.56 |
| Relative PSA | 0.23594 |
| PolarSurfaceArea | 111.64 |
| Druglikeness | 0.26557 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| 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]-N-(furan-2-ylmethyl)acetamide | 2 - (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
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