1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
Formula:C20H20N3OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide is not a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C20H20N3OBrCl2 |
| Smiles | O=C(C1CCN(Cc(cc2)ccc2Br)CC1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H20BrCl2N3O/c21-17-4-1-14(2-5-17)13-26-9-7-16(8-10-26)20(27)25-24-12-15-3-6-18(22)19(23)11-15/h1-6,11-12,16H,7-10,13H2,(H,25,27) |
| InChIK | ZOJMLWMPTAXFDT-UHFFFAOYSA-N |
| TotalMolweight | 469.209 |
| Molweight | 469.209 |
| MonoisotopicMass | 467.016677 |
| CLogP | 5.4026 |
| CLogS | -6.119 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.56 |
| Relative PSA | 0.12576 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 7.4836 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide | 2 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
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