(2Z)-2-[5-benzyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
Formula:C24H18N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[5-benzyl-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-benzyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C24H18N3O3FS |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C24H18FN3O3S/c25-17-8-10-18(11-9-17)28-23(30)21(13-16-5-2-1-3-6-16)32-24(28)20(14-26)22(29)27-15-19-7-4-12-31-19/h1-12,21H,13,15H2,(H,27,29)/t21-/m0/s1 |
| InChIK | LBAAWKVCXBJRRP-NRFANRHFSA-N |
| TotalMolweight | 447.489 |
| Molweight | 447.489 |
| MonoisotopicMass | 447.10529 |
| CLogP | 3.714 |
| CLogS | -5.626 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 334.72 |
| Relative PSA | 0.25768 |
| PolarSurfaceArea | 111.64 |
| Druglikeness | 0.20479 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[5-benzyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide | 2 - (2Z)-2-[5-benzyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
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