2-[4-[(Z)-[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide
Formula:C18H19N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C18H19N3O3S |
| Smiles | NC(COc1ccc(/C=N\NC(CSCc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C18H19N3O3S/c19-17(22)11-24-16-8-6-14(7-9-16)10-20-21-18(23)13-25-12-15-4-2-1-3-5-15/h1-10H,11-13H2,(H2,19,22)(H,21,23) |
| InChIK | BHOWBJIDJZCVFE-UHFFFAOYSA-N |
| TotalMolweight | 357.433 |
| Molweight | 357.433 |
| MonoisotopicMass | 357.114712 |
| CLogP | 2.0534 |
| CLogS | -4.376 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 282.03 |
| Relative PSA | 0.32553 |
| PolarSurfaceArea | 119.08 |
| Druglikeness | 4.8883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide
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