N-benzyl-2-[4-[(Z)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
Formula:C25H24N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[4-[(Z)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | N-benzyl-2-[4-[(Z)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C25H24N3O3ClS |
| Smiles | O=C(COc1ccc(/C=N\NC(CSCc(cc2)ccc2Cl)=O)cc1)NCc1ccccc1 |
| InChI | InChI=1S/C25H24ClN3O3S/c26-22-10-6-21(7-11-22)17-33-18-25(31)29-28-15-20-8-12-23(13-9-20)32-16-24(30)27-14-19-4-2-1-3-5-19/h1-13,15H,14,16-18H2,(H,27,30)(H,29,31) |
| InChIK | GJNCCIFXUGDQBV-UHFFFAOYSA-N |
| TotalMolweight | 482.003 |
| Molweight | 482.003 |
| MonoisotopicMass | 481.122689 |
| CLogP | 4.429 |
| CLogS | -6.351 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 373.91 |
| Relative PSA | 0.23535 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 5.4027 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-benzyl-2-[4-[(Z)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide | 2 - N-benzyl-2-[4-[(Z)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
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