N-(4-bromophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
Formula:C24H22N3O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide is not a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide |
| MolecularFormula | C24H22N3O3Br |
| Smiles | O=C(CCC(N/N=C\c(cccc1)c1OCc1ccccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C24H22BrN3O3/c25-20-10-12-21(13-11-20)27-23(29)14-15-24(30)28-26-16-19-8-4-5-9-22(19)31-17-18-6-2-1-3-7-18/h1-13,16H,14-15,17H2,(H,27,29)(H,28,30) |
| InChIK | LKBQURKLOVSJBQ-UHFFFAOYSA-N |
| TotalMolweight | 480.361 |
| Molweight | 480.361 |
| MonoisotopicMass | 479.084453 |
| CLogP | 5.126 |
| CLogS | -6.24 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 345.87 |
| Relative PSA | 0.20386 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.5321 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
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