N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
Formula:C25H24N3O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide |
| MolecularFormula | C25H24N3O3Br |
| Smiles | O=C(CCc1ccccc1)NCC(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C25H24BrN3O3/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/h1-10,12-13,15-16H,11,14,17-18H2,(H,27,30)(H,29,31) |
| InChIK | ZVELLGKVQLBILJ-UHFFFAOYSA-N |
| TotalMolweight | 494.388 |
| Molweight | 494.388 |
| MonoisotopicMass | 493.100103 |
| CLogP | 4.8111 |
| CLogS | -5.898 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 359.63 |
| Relative PSA | 0.19606 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.244 |
| 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 | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide | 2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
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