| MolName | 4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C28H23N2O3Br |
| Smiles | O=C(c(cc1)ccc1OCc1cccc(Br)c1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C28H23BrN2O3/c29-25-8-4-7-23(17-25)20-34-27-15-11-24(12-16-27)28(32)31-30-18-21-9-13-26(14-10-21)33-19-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,31,32) |
| InChIK | QPOQMZQBUZHONA-UHFFFAOYSA-N |
| TotalMolweight | 515.406 |
| Molweight | 515.406 |
| MonoisotopicMass | 514.089204 |
| CLogP | 6.623 |
| CLogS | -7.237 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 372.66 |
| Relative PSA | 0.1503 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.2305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide