2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C22H19N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H19N2O2BrS |
| Smiles | O=C(CSCc1cccc(Br)c1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H19BrN2O2S/c23-19-8-4-7-18(12-19)15-28-16-22(26)25-24-14-17-6-5-11-21(13-17)27-20-9-2-1-3-10-20/h1-14H,15-16H2,(H,25,26) |
| InChIK | JWNRWWPSDSNFCO-UHFFFAOYSA-N |
| TotalMolweight | 455.375 |
| Molweight | 455.375 |
| MonoisotopicMass | 454.035059 |
| CLogP | 5.512 |
| CLogS | -7.638 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 320.39 |
| Relative PSA | 0.1982 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 2.7907 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off