2-(3-bromophenoxy)-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]acetamide
Formula:C20H22N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C20H22N3O2Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C20H22BrN3O2/c21-17-5-4-6-19(13-17)26-15-20(25)23-22-14-16-7-9-18(10-8-16)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12,15H2,(H,23,25) |
| InChIK | BUJXCYMKYYAELT-UHFFFAOYSA-N |
| TotalMolweight | 416.318 |
| Molweight | 416.318 |
| MonoisotopicMass | 415.089538 |
| CLogP | 4.3347 |
| CLogS | -5.327 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.98 |
| Relative PSA | 0.16801 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 2.3754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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