N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenylacetamide
Formula:C21H17N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenylacetamide |
| MolecularFormula | C21H17N2OBr |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C21H17BrN2O/c22-19-13-7-8-16(14-19)15-23-24-21(25)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,20H,(H,24,25) |
| InChIK | TXEPKARTSNUUMM-UHFFFAOYSA-N |
| TotalMolweight | 393.283 |
| Molweight | 393.283 |
| MonoisotopicMass | 392.052424 |
| CLogP | 5.4525 |
| CLogS | -5.669 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.88 |
| Relative PSA | 0.12959 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenylacetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off