4-(naphthalen-2-yloxymethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C24H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(naphthalen-2-yloxymethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(naphthalen-2-yloxymethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C24H19N3O2 |
| Smiles | O=C(c1ccc(COc2cc3ccccc3cc2)cc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C24H19N3O2/c28-24(27-26-16-19-4-3-13-25-15-19)21-9-7-18(8-10-21)17-29-23-12-11-20-5-1-2-6-22(20)14-23/h1-16H,17H2,(H,27,28) |
| InChIK | MEDWRGANAUPYQN-UHFFFAOYSA-N |
| TotalMolweight | 381.434 |
| Molweight | 381.434 |
| MonoisotopicMass | 381.147727 |
| CLogP | 4.7432 |
| CLogS | -5.873 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.87 |
| Relative PSA | 0.18751 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-(naphthalen-2-yloxymethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide | 2 - 4-(naphthalen-2-yloxymethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off