N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Formula:C24H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C24H19N3O5 |
| Smiles | Oc1cccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c(cc2)cc3c2OCO3)=O)c1 |
| InChI | InChI=1S/C24H19N3O5/c28-19-8-4-5-17(11-19)14-25-27-24(30)20(26-23(29)18-6-2-1-3-7-18)12-16-9-10-21-22(13-16)32-15-31-21/h1-14,28H,15H2,(H,26,29)(H,27,30) |
| InChIK | WDEGLZRRNXNARA-UHFFFAOYSA-N |
| TotalMolweight | 429.431 |
| Molweight | 429.431 |
| MonoisotopicMass | 429.132472 |
| CLogP | 4.584 |
| CLogS | -5.881 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 327.28 |
| Relative PSA | 0.28602 |
| PolarSurfaceArea | 109.25 |
| Druglikeness | 6.2642 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off