(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide
Formula:C25H18N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide is a drug-like molecule.
| MolName | (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C25H18N3O2FS |
| Smiles | N#C/C(/C(Nc(cc1)ccc1F)=O)=C(\N1c2ccccc2)/SC(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C25H18FN3O2S/c26-18-11-13-19(14-12-18)28-23(30)21(16-27)25-29(20-9-5-2-6-10-20)24(31)22(32-25)15-17-7-3-1-4-8-17/h1-14,22H,15H2,(H,28,30)/t22-/m0/s1 |
| InChIK | WFBDMLGIYWDYGW-QFIPXVFZSA-N |
| TotalMolweight | 443.501 |
| Molweight | 443.501 |
| MonoisotopicMass | 443.110375 |
| CLogP | 4.8159 |
| CLogS | -6.128 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 331.27 |
| Relative PSA | 0.21777 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -0.12765 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
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1 - (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide | 2 - (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide
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