N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanylpropanamide
Formula:C26H27N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanylpropanamide |
| MolecularFormula | C26H27N3O3S |
| Smiles | O=C(CCSc1ccccc1)N/N=C\c(cc1)ccc1OCC(NCCc1ccccc1)=O |
| InChI | InChI=1S/C26H27N3O3S/c30-25(16-18-33-24-9-5-2-6-10-24)29-28-19-22-11-13-23(14-12-22)32-20-26(31)27-17-15-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2,(H,27,31)(H,29,30) |
| InChIK | ZGJPQKQBGBBVSZ-UHFFFAOYSA-N |
| TotalMolweight | 461.584 |
| Molweight | 461.584 |
| MonoisotopicMass | 461.177312 |
| CLogP | 4.7307 |
| CLogS | -5.753 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 372.25 |
| Relative PSA | 0.2364 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 5.3775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75758 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanylpropanamide | 2 - N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-3-phenylsulfanylpropanamide
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