1-[(4-bromophenyl)methyl]-N-[(Z)-furan-2-ylmethylideneamino]piperidine-4-carboxamide
Formula:C18H20N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-furan-2-ylmethylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-furan-2-ylmethylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C18H20N3O2Br |
| Smiles | O=C(C1CCN(Cc(cc2)ccc2Br)CC1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C18H20BrN3O2/c19-16-5-3-14(4-6-16)13-22-9-7-15(8-10-22)18(23)21-20-12-17-2-1-11-24-17/h1-6,11-12,15H,7-10,13H2,(H,21,23) |
| InChIK | GMOROUVRVSAVEN-UHFFFAOYSA-N |
| TotalMolweight | 390.28 |
| Molweight | 390.28 |
| MonoisotopicMass | 389.073888 |
| CLogP | 3.3793 |
| CLogS | -4.329 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.41 |
| Relative PSA | 0.1963 |
| PolarSurfaceArea | 57.84 |
| Druglikeness | 7.1602 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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