N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Formula:C24H17N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C24H17N3O4Cl2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C24H17Cl2N3O4/c25-18-7-4-8-19(26)17(18)13-27-29-24(31)20(28-23(30)16-5-2-1-3-6-16)11-15-9-10-21-22(12-15)33-14-32-21/h1-13H,14H2,(H,28,30)(H,29,31) |
| InChIK | KXAKDHSVUGPQGI-UHFFFAOYSA-N |
| TotalMolweight | 482.322 |
| Molweight | 482.322 |
| MonoisotopicMass | 481.059611 |
| CLogP | 6.1417 |
| CLogS | -7.649 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 351.77 |
| Relative PSA | 0.22887 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 6.3026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
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