(2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
Formula:C24H17N3O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide is a drug-like molecule.
| MolName | (2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C24H17N3O3ClFS |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C24H17ClFN3O3S/c25-20-6-2-1-4-15(20)12-21-23(31)29(17-9-7-16(26)8-10-17)24(33-21)19(13-27)22(30)28-14-18-5-3-11-32-18/h1-11,21H,12,14H2,(H,28,30)/t21-/m0/s1 |
| InChIK | IDOYFWYOZMMFSU-NRFANRHFSA-N |
| TotalMolweight | 481.934 |
| Molweight | 481.934 |
| MonoisotopicMass | 481.066317 |
| CLogP | 4.32 |
| CLogS | -6.362 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 350.14 |
| Relative PSA | 0.24633 |
| PolarSurfaceArea | 111.64 |
| Druglikeness | 0.26557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide | 2 - (2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
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