2-amino-3,5-dibromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H17N3O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3,5-dibromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-amino-3,5-dibromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H17N3O2Br2 |
| Smiles | Nc(c(C(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C21H17Br2N3O2/c22-16-10-18(20(24)19(23)11-16)21(27)26-25-12-14-6-8-17(9-7-14)28-13-15-4-2-1-3-5-15/h1-12H,13,24H2,(H,26,27) |
| InChIK | NNUWICMSHAXDRR-UHFFFAOYSA-N |
| TotalMolweight | 503.193 |
| Molweight | 503.193 |
| MonoisotopicMass | 500.968749 |
| CLogP | 5.3228 |
| CLogS | -6.806 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 316.29 |
| Relative PSA | 0.19375 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.1869 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-amino-3,5-dibromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 2-amino-3,5-dibromo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
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