(2E)-2-cyano-2-[(5R)-5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide
Formula:C29H20N3O2FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2E)-2-cyano-2-[(5R)-5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | (2E)-2-cyano-2-[(5R)-5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide |
| MolecularFormula | C29H20N3O2FS |
| Smiles | N#C/C(/C(Nc1cccc2ccccc12)=O)=C(/N1c2ccccc2)\S[C@H](Cc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C29H20FN3O2S/c30-21-15-13-19(14-16-21)17-26-28(35)33(22-9-2-1-3-10-22)29(36-26)24(18-31)27(34)32-25-12-6-8-20-7-4-5-11-23(20)25/h1-16,26H,17H2,(H,32,34)/t26-/m1/s1 |
| InChIK | OHFGWLQRKQCUQV-AREMUKBSSA-N |
| TotalMolweight | 493.561 |
| Molweight | 493.561 |
| MonoisotopicMass | 493.126025 |
| CLogP | 6.0103 |
| CLogS | -7.734 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 365.87 |
| Relative PSA | 0.19717 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -0.12765 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2E)-2-cyano-2-[(5R)-5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide | 2 - (2E)-2-cyano-2-[(5R)-5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide
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