N-[(Z)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
Formula:C20H22N4OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide |
| MolecularFormula | C20H22N4OBrCl |
| Smiles | O=C(CN1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C20H22BrClN4O/c21-19-4-2-1-3-17(19)13-23-24-20(27)15-26-11-9-25(10-12-26)14-16-5-7-18(22)8-6-16/h1-8,13H,9-12,14-15H2,(H,24,27) |
| InChIK | UTMRNFCBOBTQJT-UHFFFAOYSA-N |
| TotalMolweight | 449.779 |
| Molweight | 449.779 |
| MonoisotopicMass | 448.066549 |
| CLogP | 3.879 |
| CLogS | -4.136 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 310.7 |
| Relative PSA | 0.13875 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 7.505 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off