(Z)-1-(2-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
Formula:C22H22N3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(2-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine |
| MolecularFormula | C22H22N3Br |
| Smiles | Brc1c(/C=N\N2CCN(Cc3cccc4ccccc34)CC2)cccc1 |
| InChI | InChI=1S/C22H22BrN3/c23-22-11-4-2-7-19(22)16-24-26-14-12-25(13-15-26)17-20-9-5-8-18-6-1-3-10-21(18)20/h1-11,16H,12-15,17H2 |
| InChIK | OQUGUTYJRRHBKG-UHFFFAOYSA-N |
| TotalMolweight | 408.342 |
| Molweight | 408.342 |
| MonoisotopicMass | 407.099708 |
| CLogP | 4.9386 |
| CLogS | -5.096 |
| H Acceptors | 3 |
| TotalSurfaceArea | 286.91 |
| Relative PSA | 0.064864 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 5.4064 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine | 2 - (Z)-1-(2-bromophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off