2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C30H21N3O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C30H21N3O2BrF |
| Smiles | O=C(COc(cc1)ccc1-c1cc(-c2ccccc2)c(cc(cc2)Br)c2n1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C30H21BrFN3O2/c31-23-10-15-28-27(16-23)26(21-4-2-1-3-5-21)17-29(34-28)22-8-13-25(14-9-22)37-19-30(36)35-33-18-20-6-11-24(32)12-7-20/h1-18H,19H2,(H,35,36) |
| InChIK | FRMLKKNSNURKNI-UHFFFAOYSA-N |
| TotalMolweight | 554.418 |
| Molweight | 554.418 |
| MonoisotopicMass | 553.080116 |
| CLogP | 7.3279 |
| CLogS | -9.219 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 388.61 |
| Relative PSA | 0.14663 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 1.0666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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