N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C23H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C23H19N3O5 |
| Smiles | O=C(COc1ccc(/C=N\NC(c(cc2)cc3c2OCO3)=O)cc1)Nc1ccccc1 |
| InChI | InChI=1S/C23H19N3O5/c27-22(25-18-4-2-1-3-5-18)14-29-19-9-6-16(7-10-19)13-24-26-23(28)17-8-11-20-21(12-17)31-15-30-20/h1-13H,14-15H2,(H,25,27)(H,26,28) |
| InChIK | DJXBFTJRLSBTLI-UHFFFAOYSA-N |
| TotalMolweight | 417.42 |
| Molweight | 417.42 |
| MonoisotopicMass | 417.132472 |
| CLogP | 4.0354 |
| CLogS | -5.724 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 319.98 |
| Relative PSA | 0.28286 |
| PolarSurfaceArea | 98.25 |
| Druglikeness | 4.6131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off