2-(2,4-dibromophenoxy)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C22H18N2O3Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
2-(2,4-dibromophenoxy)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2,4-dibromophenoxy)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N2O3Br2 |
| Smiles | O=C(COc(ccc(Br)c1)c1Br)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H18Br2N2O3/c23-18-10-11-21(19(24)12-18)29-15-22(27)26-25-13-17-8-4-5-9-20(17)28-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,27) |
| InChIK | NMLNZULMKSWZSI-UHFFFAOYSA-N |
| TotalMolweight | 518.204 |
| Molweight | 518.204 |
| MonoisotopicMass | 515.968415 |
| CLogP | 5.575 |
| CLogS | -6.51 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 331.53 |
| Relative PSA | 0.16894 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4066 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(2,4-dibromophenoxy)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(2,4-dibromophenoxy)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
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