N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
Formula:C24H22N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide |
| MolecularFormula | C24H22N2O5 |
| Smiles | O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C24H22N2O5/c27-24(26-25-15-19-6-11-22-23(14-19)29-13-12-28-22)17-31-21-9-7-20(8-10-21)30-16-18-4-2-1-3-5-18/h1-11,14-15H,12-13,16-17H2,(H,26,27) |
| InChIK | NVBIQXCFHHKSNG-UHFFFAOYSA-N |
| TotalMolweight | 418.448 |
| Molweight | 418.448 |
| MonoisotopicMass | 418.152873 |
| CLogP | 4.1034 |
| CLogS | -5.024 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.29 |
| Relative PSA | 0.23153 |
| PolarSurfaceArea | 78.38 |
| Druglikeness | -2.6834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off