N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
Formula:C22H19N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C22H19N2O2Br |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H19BrN2O2/c23-20-11-12-21(27-16-18-9-5-2-6-10-18)19(14-20)15-24-25-22(26)13-17-7-3-1-4-8-17/h1-12,14-15H,13,16H2,(H,25,26) |
| InChIK | QABYIHQXPOPOBO-UHFFFAOYSA-N |
| TotalMolweight | 423.309 |
| Molweight | 423.309 |
| MonoisotopicMass | 422.062989 |
| CLogP | 5.273 |
| CLogS | -5.861 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 302.9 |
| Relative PSA | 0.1519 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2186 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
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