N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
Formula:C17H16N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide |
| MolecularFormula | C17H16N3O3Br |
| Smiles | O=C(CNC(COc1ccccc1)=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H16BrN3O3/c18-14-8-6-13(7-9-14)10-20-21-16(22)11-19-17(23)12-24-15-4-2-1-3-5-15/h1-10H,11-12H2,(H,19,23)(H,21,22) |
| InChIK | LJKFMZLZAKJQCG-UHFFFAOYSA-N |
| TotalMolweight | 390.236 |
| Molweight | 390.236 |
| MonoisotopicMass | 389.037503 |
| CLogP | 2.5854 |
| CLogS | -4.102 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 272.35 |
| Relative PSA | 0.25889 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.3995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
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