(E)-N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
Formula:C25H22N3O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C25H22N3O3Br |
| Smiles | O=C(CNC(/C=C/c1ccccc1)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C25H22BrN3O3/c26-22-12-13-23(32-18-20-9-5-2-6-10-20)21(15-22)16-28-29-25(31)17-27-24(30)14-11-19-7-3-1-4-8-19/h1-16H,17-18H2,(H,27,30)(H,29,31) |
| InChIK | DKCHNXBEDVMAPJ-UHFFFAOYSA-N |
| TotalMolweight | 492.372 |
| Molweight | 492.372 |
| MonoisotopicMass | 491.084453 |
| CLogP | 4.6878 |
| CLogS | -6.033 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 358.61 |
| Relative PSA | 0.19662 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.932 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
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