N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Formula:C25H18N3O6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide |
| MolecularFormula | C25H18N3O6Br |
| Smiles | O=C(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C25H18BrN3O6/c26-18-5-3-17(4-6-18)24(30)28-19(9-15-1-7-20-22(10-15)34-13-32-20)25(31)29-27-12-16-2-8-21-23(11-16)35-14-33-21/h1-12H,13-14H2,(H,28,30)(H,29,31) |
| InChIK | YVJMRVMBAHWFHS-UHFFFAOYSA-N |
| TotalMolweight | 536.337 |
| Molweight | 536.337 |
| MonoisotopicMass | 535.037898 |
| CLogP | 5.7663 |
| CLogS | -7.722 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 359.82 |
| Relative PSA | 0.27933 |
| PolarSurfaceArea | 107.48 |
| Druglikeness | 4.4798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide
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