N-(4-bromophenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide
Formula:C25H24N3O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide |
| MolecularFormula | C25H24N3O3Br |
| Smiles | O=C(CCCC(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C25H24BrN3O3/c26-21-11-13-22(14-12-21)28-24(30)7-4-8-25(31)29-27-17-19-9-15-23(16-10-19)32-18-20-5-2-1-3-6-20/h1-3,5-6,9-17H,4,7-8,18H2,(H,28,30)(H,29,31) |
| InChIK | HAIIKFGTXAARMU-UHFFFAOYSA-N |
| TotalMolweight | 494.388 |
| Molweight | 494.388 |
| MonoisotopicMass | 493.100103 |
| CLogP | 5.5804 |
| CLogS | -6.51 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 359.63 |
| Relative PSA | 0.19606 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -2.7785 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide
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