N-[(Z)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Formula:C24H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide |
| MolecularFormula | C24H19N3O4 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccccc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C24H19N3O4/c28-23(19-9-5-2-6-10-19)26-20(13-17-7-3-1-4-8-17)24(29)27-25-15-18-11-12-21-22(14-18)31-16-30-21/h1-15H,16H2,(H,26,28)(H,27,29) |
| InChIK | ZQIQRKDLDUVBAK-UHFFFAOYSA-N |
| TotalMolweight | 413.432 |
| Molweight | 413.432 |
| MonoisotopicMass | 413.137557 |
| CLogP | 4.9297 |
| CLogS | -6.177 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 320.93 |
| Relative PSA | 0.25086 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 6.2698 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| 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-[(Z)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
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