N-(3-bromophenyl)-N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]oxamide
Formula:C17H14N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-bromophenyl)-N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3-bromophenyl)-N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]oxamide |
| MolecularFormula | C17H14N3O4Br |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCCO2)=O)Nc1cccc(Br)c1 |
| InChI | InChI=1S/C17H14BrN3O4/c18-12-2-1-3-13(9-12)20-16(22)17(23)21-19-10-11-4-5-14-15(8-11)25-7-6-24-14/h1-5,8-10H,6-7H2,(H,20,22)(H,21,23) |
| InChIK | PXOWRKCRMFSROQ-UHFFFAOYSA-N |
| TotalMolweight | 404.219 |
| Molweight | 404.219 |
| MonoisotopicMass | 403.016768 |
| CLogP | 2.8479 |
| CLogS | -4.541 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 268.85 |
| Relative PSA | 0.29946 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -5.2864 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-(3-bromophenyl)-N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]oxamide | 2 - N-(3-bromophenyl)-N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]oxamide
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