N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
Formula:C22H17N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide |
| MolecularFormula | C22H17N2O4Br |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C22H17BrN2O4/c23-19-11-21-20(28-14-29-21)10-17(19)12-24-25-22(26)13-27-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,26) |
| InChIK | FSQHZUKUTWYLAX-UHFFFAOYSA-N |
| TotalMolweight | 453.291 |
| Molweight | 453.291 |
| MonoisotopicMass | 452.037169 |
| CLogP | 5.2723 |
| CLogS | -7.132 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.4 |
| Relative PSA | 0.21335 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.3454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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