N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
Formula:C20H20N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide |
| MolecularFormula | C20H20N4O3Cl2 |
| Smiles | [O-][N+](c1ccc(CN(CC2)CCC2C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C20H20Cl2N4O3/c21-17-4-3-16(19(22)11-17)12-23-24-20(27)15-7-9-25(10-8-15)13-14-1-5-18(6-2-14)26(28)29/h1-6,11-12,15H,7-10,13H2,(H,24,27) |
| InChIK | WNZJVTAFVLJBGL-UHFFFAOYSA-N |
| TotalMolweight | 435.31 |
| Molweight | 435.31 |
| MonoisotopicMass | 434.091245 |
| CLogP | 2.8293 |
| CLogS | -5.745 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 319.6 |
| Relative PSA | 0.21896 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | 4.1693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off