(2E)-2-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1-benzothiophen-3-one
Formula:C22H21NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1-benzothiophen-3-one is a drug-like molecule.
| MolName | (2E)-2-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C22H21NO3S |
| Smiles | O=C(COc1ccc(/C=C2/Sc(cccc3)c3C2=O)cc1)N1CCCCC1 |
| InChI | InChI=1S/C22H21NO3S/c24-21(23-12-4-1-5-13-23)15-26-17-10-8-16(9-11-17)14-20-22(25)18-6-2-3-7-19(18)27-20/h2-3,6-11,14H,1,4-5,12-13,15H2 |
| InChIK | SSIRGVUSUCDFAV-UHFFFAOYSA-N |
| TotalMolweight | 379.479 |
| Molweight | 379.479 |
| MonoisotopicMass | 379.124214 |
| CLogP | 3.4829 |
| CLogS | -5.135 |
| H Acceptors | 4 |
| TotalSurfaceArea | 286.58 |
| Relative PSA | 0.19932 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 3.1773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1-benzothiophen-3-one | 2 - (2E)-2-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1-benzothiophen-3-one
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