N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
Formula:C20H21N4OBrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide |
| MolecularFormula | C20H21N4OBrClF |
| Smiles | O=C(CN1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C20H21BrClFN4O/c21-17-3-6-19(23)16(11-17)12-24-25-20(28)14-27-9-7-26(8-10-27)13-15-1-4-18(22)5-2-15/h1-6,11-12H,7-10,13-14H2,(H,25,28) |
| InChIK | ZFNGYLKPLBIWCR-UHFFFAOYSA-N |
| TotalMolweight | 467.769 |
| Molweight | 467.769 |
| MonoisotopicMass | 466.057127 |
| CLogP | 3.9798 |
| CLogS | -4.45 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.05 |
| Relative PSA | 0.13597 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 6.165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)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