N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-phenacylidenehydrazinyl]prop-1-en-2-yl]benzamide
Formula:C25H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-phenacylidenehydrazinyl]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-phenacylidenehydrazinyl]prop-1-en-2-yl]benzamide |
| MolecularFormula | C25H19N3O5 |
| Smiles | O=C(/C=N\NC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)=O)c1ccccc1 |
| InChI | InChI=1S/C25H19N3O5/c29-21(18-7-3-1-4-8-18)15-26-28-25(31)20(27-24(30)19-9-5-2-6-10-19)13-17-11-12-22-23(14-17)33-16-32-22/h1-15H,16H2,(H,27,30)(H,28,31) |
| InChIK | OBVLUHSLQSJCNE-UHFFFAOYSA-N |
| TotalMolweight | 441.442 |
| Molweight | 441.442 |
| MonoisotopicMass | 441.132472 |
| CLogP | 3.7286 |
| CLogS | -6.245 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 338.68 |
| Relative PSA | 0.27622 |
| PolarSurfaceArea | 106.09 |
| Druglikeness | 6.5238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-phenacylidenehydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-phenacylidenehydrazinyl]prop-1-en-2-yl]benzamide
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