2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
Formula:C22H19N2O2Br
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide |
| MolecularFormula | C22H19N2O2Br |
| Smiles | O=C(COc(ccc1ccccc11)c1Br)N/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C22H19BrN2O2/c23-22-18-10-4-2-7-16(18)12-13-20(22)27-14-21(26)25-24-19-11-5-8-15-6-1-3-9-17(15)19/h1-4,6-7,9-10,12-13H,5,8,11,14H2,(H,25,26) |
| InChIK | GCWFDKGKNXYDGF-UHFFFAOYSA-N |
| TotalMolweight | 423.309 |
| Molweight | 423.309 |
| MonoisotopicMass | 422.062989 |
| CLogP | 5.3688 |
| CLogS | -6.89 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.97 |
| Relative PSA | 0.15867 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -1.4391 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide | 2 - 2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
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