2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
Formula:C21H18N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C21H18N3O4FS |
| Smiles | O=C(COc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C21H18FN3O4S/c22-17-8-10-18(11-9-17)24-21(26)15-29-19-12-6-16(7-13-19)14-23-25-30(27,28)20-4-2-1-3-5-20/h1-14,25H,15H2,(H,24,26) |
| InChIK | JOXRFMWMBFMTGB-UHFFFAOYSA-N |
| TotalMolweight | 427.455 |
| Molweight | 427.455 |
| MonoisotopicMass | 427.100205 |
| CLogP | 3.1003 |
| CLogS | -3.522 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 316.9 |
| Relative PSA | 0.27154 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | -3.6152 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide | 2 - 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off