2-[benzyl(phenoxy)amino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C22H19N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzyl(phenoxy)amino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzyl(phenoxy)amino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H19N3O2Cl2 |
| Smiles | O=C(CN(Cc1ccccc1)Oc1ccccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C22H19Cl2N3O2/c23-20-12-11-18(13-21(20)24)14-25-26-22(28)16-27(15-17-7-3-1-4-8-17)29-19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,28) |
| InChIK | SJYXSIIVKIDWOP-UHFFFAOYSA-N |
| TotalMolweight | 428.318 |
| Molweight | 428.318 |
| MonoisotopicMass | 427.085431 |
| CLogP | 4.4662 |
| CLogS | -6.679 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.41 |
| Relative PSA | 0.1523 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 5.4748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-[benzyl(phenoxy)amino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[benzyl(phenoxy)amino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off