2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
Formula:C23H26N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H26N3O3ClS |
| Smiles | O=C(CSCc1cccc(Cl)c1)N/N=C\c(cc1)ccc1OCC(N1CCCCC1)=O |
| InChI | InChI=1S/C23H26ClN3O3S/c24-20-6-4-5-19(13-20)16-31-17-22(28)26-25-14-18-7-9-21(10-8-18)30-15-23(29)27-11-2-1-3-12-27/h4-10,13-14H,1-3,11-12,15-17H2,(H,26,28) |
| InChIK | CUJCCQNWSXZLIF-UHFFFAOYSA-N |
| TotalMolweight | 459.996 |
| Molweight | 459.996 |
| MonoisotopicMass | 459.138339 |
| CLogP | 4.4104 |
| CLogS | -5.622 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 354.53 |
| Relative PSA | 0.2259 |
| PolarSurfaceArea | 96.3 |
| Druglikeness | 4.8854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide | 2 - 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
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