N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]benzamide
Formula:C26H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]benzamide |
| MolecularFormula | C26H21N3O4 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C26H21N3O4/c30-25(21-11-5-2-6-12-21)28-22(16-20-13-14-23-24(17-20)33-18-32-23)26(31)29-27-15-7-10-19-8-3-1-4-9-19/h1-17H,18H2,(H,28,30)(H,29,31) |
| InChIK | NPOZLHRIYRCGRL-UHFFFAOYSA-N |
| TotalMolweight | 439.47 |
| Molweight | 439.47 |
| MonoisotopicMass | 439.153207 |
| CLogP | 4.948 |
| CLogS | -6.469 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 347.43 |
| Relative PSA | 0.23173 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 6.2786 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]benzamide
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