N-(4-bromophenyl)-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide
Formula:C23H20N3O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide is not a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide |
| MolecularFormula | C23H20N3O3Br |
| Smiles | O=C(CCC(N/N=C\c1cc(Oc2ccccc2)ccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C23H20BrN3O3/c24-18-9-11-19(12-10-18)26-22(28)13-14-23(29)27-25-16-17-5-4-8-21(15-17)30-20-6-2-1-3-7-20/h1-12,15-16H,13-14H2,(H,26,28)(H,27,29) |
| InChIK | IULRXEOUHQDCED-UHFFFAOYSA-N |
| TotalMolweight | 466.334 |
| Molweight | 466.334 |
| MonoisotopicMass | 465.068803 |
| CLogP | 5.1735 |
| CLogS | -7.196 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 332.11 |
| Relative PSA | 0.21231 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.7335 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]butanediamide
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