N-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
Formula:C22H18N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C22H18N2O2Br2 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H18Br2N2O2/c23-19-12-18(14-25-26-21(27)11-16-7-3-1-4-8-16)22(20(24)13-19)28-15-17-9-5-2-6-10-17/h1-10,12-14H,11,15H2,(H,26,27) |
| InChIK | YAMWLADZXGRWKF-UHFFFAOYSA-N |
| TotalMolweight | 502.205 |
| Molweight | 502.205 |
| MonoisotopicMass | 499.9735 |
| CLogP | 5.9982 |
| CLogS | -6.695 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 321.53 |
| Relative PSA | 0.1431 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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