1-[(4-bromophenyl)methyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]piperidine-4-carboxamide
Formula:C24H24N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]piperidine-4-carboxamide is not a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C24H24N3OBr |
| Smiles | O=C(C1CCN(Cc(cc2)ccc2Br)CC1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C24H24BrN3O/c25-22-10-8-18(9-11-22)17-28-14-12-20(13-15-28)24(29)27-26-16-21-6-3-5-19-4-1-2-7-23(19)21/h1-11,16,20H,12-15,17H2,(H,27,29) |
| InChIK | LOKOIXASKYXFJK-UHFFFAOYSA-N |
| TotalMolweight | 450.379 |
| Molweight | 450.379 |
| MonoisotopicMass | 449.110273 |
| CLogP | 5.385 |
| CLogS | -6.253 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.32 |
| Relative PSA | 0.12428 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 7.4805 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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