2-(3-bromophenoxy)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
Formula:C26H21N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide |
| MolecularFormula | C26H21N2O3Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\c(c1ccccc1cc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C26H21BrN2O3/c27-21-10-6-11-22(15-21)31-18-26(30)29-28-16-24-23-12-5-4-9-20(23)13-14-25(24)32-17-19-7-2-1-3-8-19/h1-16H,17-18H2,(H,29,30) |
| InChIK | APTQWWACAZRPGN-UHFFFAOYSA-N |
| TotalMolweight | 489.368 |
| Molweight | 489.368 |
| MonoisotopicMass | 488.073554 |
| CLogP | 6.0442 |
| CLogS | -7.282 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 347.5 |
| Relative PSA | 0.16118 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4066 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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