2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-benzylacetamide
Formula:C22H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-benzylacetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-benzylacetamide |
| MolecularFormula | C22H21N3O4S |
| Smiles | O=C(COc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1)NCc1ccccc1 |
| InChI | InChI=1S/C22H21N3O4S/c26-22(23-15-18-7-3-1-4-8-18)17-29-20-13-11-19(12-14-20)16-24-25-30(27,28)21-9-5-2-6-10-21/h1-14,16,25H,15,17H2,(H,23,26) |
| InChIK | NHMKIIPNISJRES-UHFFFAOYSA-N |
| TotalMolweight | 423.492 |
| Molweight | 423.492 |
| MonoisotopicMass | 423.125277 |
| CLogP | 2.7089 |
| CLogS | -3.024 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 324.31 |
| Relative PSA | 0.26533 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | -2.2268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-benzylacetamide | 2 - 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-benzylacetamide
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