N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Formula:C23H19N3O3BrF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide |
| MolecularFormula | C23H19N3O3BrF |
| Smiles | O=C(CNC(c(cc1)ccc1F)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H19BrFN3O3/c24-19-8-11-21(31-15-16-4-2-1-3-5-16)18(12-19)13-27-28-22(29)14-26-23(30)17-6-9-20(25)10-7-17/h1-13H,14-15H2,(H,26,30)(H,28,29) |
| InChIK | UTPXOKOZPNPAIP-UHFFFAOYSA-N |
| TotalMolweight | 484.324 |
| Molweight | 484.324 |
| MonoisotopicMass | 483.059381 |
| CLogP | 4.4594 |
| CLogS | -5.977 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 338.46 |
| Relative PSA | 0.20833 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.8938 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide | 2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
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