2-(5,7-dibromoquinolin-8-yl)oxy-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
Formula:C27H19N5O2Br2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
2-(5,7-dibromoquinolin-8-yl)oxy-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5,7-dibromoquinolin-8-yl)oxy-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C27H19N5O2Br2 |
| Smiles | O=C(COc(c1ncccc1c(Br)c1)c1Br)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C27H19Br2N5O2/c28-22-14-23(29)27(26-21(22)12-7-13-30-26)36-17-24(35)32-31-15-19-16-34(20-10-5-2-6-11-20)33-25(19)18-8-3-1-4-9-18/h1-16H,17H2,(H,32,35) |
| InChIK | IXRVXSBNRJUWDF-UHFFFAOYSA-N |
| TotalMolweight | 605.289 |
| Molweight | 605.289 |
| MonoisotopicMass | 602.990547 |
| CLogP | 5.4619 |
| CLogS | -7.388 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 388.85 |
| Relative PSA | 0.19241 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 3.9198 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-(5,7-dibromoquinolin-8-yl)oxy-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide | 2 - 2-(5,7-dibromoquinolin-8-yl)oxy-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
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