N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
Formula:C23H31N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide |
| MolecularFormula | C23H31N5O |
| Smiles | Cc1ccc(CN2CCN(CC(N/N=C\c(cc3)ccc3N(C)C)=O)CC2)cc1 |
| InChI | InChI=1S/C23H31N5O/c1-19-4-6-21(7-5-19)17-27-12-14-28(15-13-27)18-23(29)25-24-16-20-8-10-22(11-9-20)26(2)3/h4-11,16H,12-15,17-18H2,1-3H3,(H,25,29) |
| InChIK | SZFVEZIUEUVFSE-UHFFFAOYSA-N |
| TotalMolweight | 393.533 |
| Molweight | 393.533 |
| MonoisotopicMass | 393.25286 |
| CLogP | 2.7881 |
| CLogS | -2.946 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 323.73 |
| Relative PSA | 0.14413 |
| PolarSurfaceArea | 51.18 |
| Druglikeness | 9.7062 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 7 |
| Amines | 3 |
| AlkylAmines | 2 |
| Aromatic Amines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide | 2 - N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off