(E)-N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
Formula:C20H18N3O2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C20H18N3O2Br |
| Smiles | O=C(CNC(/C=C/c1ccccc1)=O)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C20H18BrN3O2/c21-18(13-17-9-5-2-6-10-17)14-23-24-20(26)15-22-19(25)12-11-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,25)(H,24,26) |
| InChIK | BROUJLPWVVVUHF-UHFFFAOYSA-N |
| TotalMolweight | 412.286 |
| Molweight | 412.286 |
| MonoisotopicMass | 411.058238 |
| CLogP | 3.2254 |
| CLogS | -4.983 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 299.8 |
| Relative PSA | 0.20183 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -1.2056 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
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