N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
Formula:C28H27N4OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide |
| MolecularFormula | C28H27N4OCl |
| Smiles | O=C(CN1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C28H27ClN4O/c29-24-11-9-21(10-12-24)19-32-13-15-33(16-14-32)20-28(34)31-30-18-27-25-7-3-1-5-22(25)17-23-6-2-4-8-26(23)27/h1-12,17-18H,13-16,19-20H2,(H,31,34) |
| InChIK | SWENLGQMBKBCOF-UHFFFAOYSA-N |
| TotalMolweight | 471.002 |
| Molweight | 471.002 |
| MonoisotopicMass | 470.187338 |
| CLogP | 5.5426 |
| CLogS | -6.514 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 361.27 |
| Relative PSA | 0.11933 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.295 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 8 |
| Symmetricatoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off