N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-fluorophenyl)oxamide
Formula:C26H19N3O3BrF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-fluorophenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-fluorophenyl)oxamide |
| MolecularFormula | C26H19N3O3BrF |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C26H19BrFN3O3/c27-19-6-3-4-17(14-19)16-34-24-13-8-18-5-1-2-7-22(18)23(24)15-29-31-26(33)25(32)30-21-11-9-20(28)10-12-21/h1-15H,16H2,(H,30,32)(H,31,33) |
| InChIK | HPLBXMPBZUOVOQ-UHFFFAOYSA-N |
| TotalMolweight | 520.357 |
| Molweight | 520.357 |
| MonoisotopicMass | 519.059381 |
| CLogP | 5.5124 |
| CLogS | -7.62 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 359.3 |
| Relative PSA | 0.19624 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 0.25358 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-fluorophenyl)oxamide | 2 - N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-fluorophenyl)oxamide
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