N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(benzylamino)benzamide
Formula:C22H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(benzylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(benzylamino)benzamide |
| MolecularFormula | C22H19N3O3 |
| Smiles | O=C(c(cc1)ccc1NCc1ccccc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C22H19N3O3/c26-22(25-24-14-17-6-11-20-21(12-17)28-15-27-20)18-7-9-19(10-8-18)23-13-16-4-2-1-3-5-16/h1-12,14,23H,13,15H2,(H,25,26) |
| InChIK | BGRJLNKYBQLMGL-UHFFFAOYSA-N |
| TotalMolweight | 373.411 |
| Molweight | 373.411 |
| MonoisotopicMass | 373.142642 |
| CLogP | 4.3781 |
| CLogS | -5.815 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 292.23 |
| Relative PSA | 0.23088 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 4.7185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(benzylamino)benzamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(benzylamino)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off