N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylbutanediamide
Formula:C19H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylbutanediamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylbutanediamide |
| MolecularFormula | C19H19N3O4 |
| Smiles | O=C(CCC(N/N=C\c(cc1)cc2c1OCO2)=O)NCc1ccccc1 |
| InChI | InChI=1S/C19H19N3O4/c23-18(20-11-14-4-2-1-3-5-14)8-9-19(24)22-21-12-15-6-7-16-17(10-15)26-13-25-16/h1-7,10,12H,8-9,11,13H2,(H,20,23)(H,22,24) |
| InChIK | DABMMIRCLBGVSH-UHFFFAOYSA-N |
| TotalMolweight | 353.377 |
| Molweight | 353.377 |
| MonoisotopicMass | 353.137557 |
| CLogP | 2.8735 |
| CLogS | -4.592 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 277.74 |
| Relative PSA | 0.28988 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 3.8583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylbutanediamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylbutanediamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off